Daily Papers

Large-scale datasets play a fundamental role in training deep learning models. However, dataset collection is difficult in domains that involve sensitive information. Collaborative learning techniques provide a privacy-preserving solution, by enabling training over a number of private datasets that are not shared by their owners. However, recently, it has been shown that the existing collaborative learning frameworks are vulnerable to an active adversary that runs a generative adversarial network (GAN) attack. In this work, we propose a novel classification model that is resilient against such attacks by design. More specifically, we introduce a key-based classification model and a principled training scheme that protects class scores by using class-specific private keys, which effectively hide the information necessary for a GAN attack. We additionally show how to utilize high dimensional keys to improve the robustness against attacks without increasing the model complexity. Our detailed experiments demonstrate the effectiveness of the proposed technique. Source code is available at https://github.com/mbsariyildiz/key-protected-classification.

Transformer is a transformative framework that models sequential data and has achieved remarkable performance on a wide range of tasks, but with high computational and energy cost. To improve its efficiency, a popular choice is to compress the models via binarization which constrains the floating-point values into binary ones to save resource consumption owing to cheap bitwise operations significantly. However, existing binarization methods only aim at minimizing the information loss for the input distribution statistically, while ignoring the pairwise similarity modeling at the core of the attention. To this end, we propose a new binarization paradigm customized to high-dimensional softmax attention via kernelized hashing, called EcoFormer, to map the original queries and keys into low-dimensional binary codes in Hamming space. The kernelized hash functions are learned to match the ground-truth similarity relations extracted from the attention map in a self-supervised way. Based on the equivalence between the inner product of binary codes and the Hamming distance as well as the associative property of matrix multiplication, we can approximate the attention in linear complexity by expressing it as a dot-product of binary codes. Moreover, the compact binary representations of queries and keys enable us to replace most of the expensive multiply-accumulate operations in attention with simple accumulations to save considerable on-chip energy footprint on edge devices. Extensive experiments on both vision and language tasks show that EcoFormer consistently achieves comparable performance with standard attentions while consuming much fewer resources. For example, based on PVTv2-B0 and ImageNet-1K, Ecoformer achieves a 73% on-chip energy footprint reduction with only a 0.33% performance drop compared to the standard attention. Code is available at https://github.com/ziplab/EcoFormer.

Decoder-only Transformers compute attention over the KV cache of preceding tokens. Keys (and Values) are typically represented with the same dimensionality, regardless of its distance from the prediction target. In natural language, however, the next word is most strongly influenced by the immediately preceding tokens. We hypothesize that local and distant tokens impose asymmetric demands on representational capacity: local tokens are more critical for predicting immediate outputs and thus require richer representations, whereas distant tokens primarily serve as long-range memory, for which lower-dimensional representations may suffice. We formalize this idea as Distance-Adaptive Representation (DAR), implemented in a controlled setting that preserves full-dimensional representations within a local context window while assigning reduced-dimensional representations (e.g. 1/4 of the original dimensionality) to tokens beyond that window. Across multiple pretraining scales (70M to 410M parameters), as well as continued supervised fine-tuning on a 1B-scale model, this approach closely matches the performance of full-dimensional baselines. In contrast, uniformly reducing dimensionality across all token positions leads to worse performance. These results challenge the common assumption that key and value dimensionality should be uniform across token positions. Our findings suggest a new direction for designing attention architectures that adaptively allocate representational capacity across sequences, enabling further reductions in KV cache during inference.

Hyperbolic embeddings offer excellent quality with few dimensions when embedding hierarchical data structures like synonym or type hierarchies. Given a tree, we give a combinatorial construction that embeds the tree in hyperbolic space with arbitrarily low distortion without using optimization. On WordNet, our combinatorial embedding obtains a mean-average-precision of 0.989 with only two dimensions, while Nickel et al.'s recent construction obtains 0.87 using 200 dimensions. We provide upper and lower bounds that allow us to characterize the precision-dimensionality tradeoff inherent in any hyperbolic embedding. To embed general metric spaces, we propose a hyperbolic generalization of multidimensional scaling (h-MDS). We show how to perform exact recovery of hyperbolic points from distances, provide a perturbation analysis, and give a recovery result that allows us to reduce dimensionality. The h-MDS approach offers consistently low distortion even with few dimensions across several datasets. Finally, we extract lessons from the algorithms and theory above to design a PyTorch-based implementation that can handle incomplete information and is scalable.

Click-through rate (CTR) prediction, which aims to predict the probability of a user clicking on an ad or an item, is critical to many online applications such as online advertising and recommender systems. The problem is very challenging since (1) the input features (e.g., the user id, user age, item id, item category) are usually sparse and high-dimensional, and (2) an effective prediction relies on high-order combinatorial features (a.k.a. cross features), which are very time-consuming to hand-craft by domain experts and are impossible to be enumerated. Therefore, there have been efforts in finding low-dimensional representations of the sparse and high-dimensional raw features and their meaningful combinations. In this paper, we propose an effective and efficient method called the AutoInt to automatically learn the high-order feature interactions of input features. Our proposed algorithm is very general, which can be applied to both numerical and categorical input features. Specifically, we map both the numerical and categorical features into the same low-dimensional space. Afterwards, a multi-head self-attentive neural network with residual connections is proposed to explicitly model the feature interactions in the low-dimensional space. With different layers of the multi-head self-attentive neural networks, different orders of feature combinations of input features can be modeled. The whole model can be efficiently fit on large-scale raw data in an end-to-end fashion. Experimental results on four real-world datasets show that our proposed approach not only outperforms existing state-of-the-art approaches for prediction but also offers good explainability. Code is available at: https://github.com/DeepGraphLearning/RecommenderSystems.

Why does the low dimensionality of representations, typically dapprox 1000, not prevent modern embedding-based retrieval models from scaling to billions, or even trillions, of data points? To answer this question, we study maximal-margin embeddings in the following retrieval model, classically studied in communication complexity [PS86] and more recently in embedding-based retrieval [WBNL26]. Let Ain {0,1}^{Ntimes n} be a matrix indicating whether each of N queries is relevant to each of n documents. We are interested in the largest margin m>0, denoted by m^{rd}(d, A), for which there exist unit norm embeddings of the queries and documents {U_j}_{j = 1}^N, {V_i}_{i = 1}^n with the following property. langle U_j, V_irangle ge m whenever A_{ji} = 1 and langle U_j, V_irangle le -m otherwise. A large margin is a key proxy for representation quality: it controls both robustness to perturbations and compositional generalization across queries. Our main theorem establishes that the best possible margin without a restriction on the dimension, m^{rd}(+infty, A), can be nearly achieved in dimension d = O(m^{rd}(+infty, A)^{-2}log n) which improves a theorem of [BDES02]. Together with a matching lower bound in Theorem 1.5, we conclude that when Ain {0,1}^{n{k}times n} is the matrix containing all possible k-sparse rows once, dimension d = O(klog (n/k)) is necessary and sufficient for the maximal possible margin m^{rd}(+infty, A) = Θ(k^{-1/2}) in this setting. This fully resolves the setup of [WBNL26]. We also give several constructions for large margins when d = o(klog (n/k)). Finally, we empirically test the InfoNCE and sigmoid losses for producing large margin embeddings and demonstrate a clear advantage of the sigmoid loss.

The last decade has witnessed an experimental revolution in data science and machine learning, epitomised by deep learning methods. Indeed, many high-dimensional learning tasks previously thought to be beyond reach -- such as computer vision, playing Go, or protein folding -- are in fact feasible with appropriate computational scale. Remarkably, the essence of deep learning is built from two simple algorithmic principles: first, the notion of representation or feature learning, whereby adapted, often hierarchical, features capture the appropriate notion of regularity for each task, and second, learning by local gradient-descent type methods, typically implemented as backpropagation. While learning generic functions in high dimensions is a cursed estimation problem, most tasks of interest are not generic, and come with essential pre-defined regularities arising from the underlying low-dimensionality and structure of the physical world. This text is concerned with exposing these regularities through unified geometric principles that can be applied throughout a wide spectrum of applications. Such a 'geometric unification' endeavour, in the spirit of Felix Klein's Erlangen Program, serves a dual purpose: on one hand, it provides a common mathematical framework to study the most successful neural network architectures, such as CNNs, RNNs, GNNs, and Transformers. On the other hand, it gives a constructive procedure to incorporate prior physical knowledge into neural architectures and provide principled way to build future architectures yet to be invented.

Despite the central role of attention heads in Transformers, we lack tools to understand why a model attends to a particular token. To address this, we study the query-key (QK) space -- the bilinear joint embedding space between queries and keys. We present a contrastive covariance method to decompose the QK space into low-rank, human-interpretable components. It is when features in keys and queries align in these low-rank subspaces that high attention scores are produced. We first study our method both analytically and empirically in a simplified setting. We then apply our method to large language models to identify human-interpretable QK subspaces for categorical semantic features and binding features. Finally, we demonstrate how attention scores can be attributed to our identified features.

Information Retrieval using dense low-dimensional representations recently became popular and showed out-performance to traditional sparse-representations like BM25. However, no previous work investigated how dense representations perform with large index sizes. We show theoretically and empirically that the performance for dense representations decreases quicker than sparse representations for increasing index sizes. In extreme cases, this can even lead to a tipping point where at a certain index size sparse representations outperform dense representations. We show that this behavior is tightly connected to the number of dimensions of the representations: The lower the dimension, the higher the chance for false positives, i.e. returning irrelevant documents.

Emerging Large Language Model (LLM) applications require long input prompts to perform complex downstream tasks like document analysis and code generation. For these long context length applications, the length of the input prompt poses a significant challenge in terms of inference efficiency since the inference costs increase linearly with sequence length. However, for many of these applications, much of the context in the prompt is fixed across different user inputs, thereby providing the opportunity to perform offline optimizations to process user inputs quickly, as they are received. In this work, we propose Squeezed Attention as a mechanism to accelerate LLM applications where a large portion of the input prompt is fixed. We first leverage K-means clustering offline to group the keys for the fixed context based on semantic similarity and represent each cluster with a single centroid value. During inference, we compare query tokens from the user input with the centroids to predict which of the keys from the fixed context are semantically relevant and need to be loaded during inference. We then compute exact attention using only these important keys from the fixed context, thereby reducing bandwidth and computational costs. We also extend our method to use a hierarchical centroid lookup to identify important keys, which can reduce the complexity of attention from linear to logarithmic with respect to the context length. We implement optimized Triton kernels for centroid comparison and sparse FlashAttention with important keys, achieving more than 4x speedups during both the prefill and generation phases for long-context inference. Furthermore, we have extensively evaluated our method on various long-context benchmarks including LongBench, where it achieves a 3x reduction in KV cache budget without accuracy loss and up to an 8x reduction with <0.5 point accuracy gap for various models.

Motivated by the problem of fast processing of attention matrices, we study fast algorithms for computing matrix-vector products for asymmetric Gaussian Kernel matrices Kin R^{ntimes n}. K's columns are indexed by a set of n keys k_1,k_2ldots, k_nin R^d, rows by a set of n queries q_1,q_2,ldots,q_nin R^d , and its i,j entry is K_{ij} = e^{-|q_i-k_j|_2^2/2sigma^2} for some bandwidth parameter sigma>0. Given a vector xin R^n and error parameter epsilon>0, our task is to output a yin R^n such that |Kx-y|_2leq epsilon |x|_2 in time subquadratic in n and linear in d. Our algorithms rely on the following modelling assumption about the matrices K: the sum of the entries of K scales linearly in n, as opposed to worst case quadratic growth. We validate this assumption experimentally, for Gaussian kernel matrices encountered in various settings such as fast attention computation in LLMs. We obtain the first subquadratic-time algorithm that works under this assumption, for unrestricted vectors.

A ubiquitous feature of data of our era is their extra-large sizes and dimensions. Analyzing such high-dimensional data poses significant challenges, since the feature dimension is often much larger than the sample size. This thesis introduces robust and computationally efficient methods to address several common challenges associated with high-dimensional data. In my first manuscript, I propose a coherent approach to variable screening that accommodates nonlinear associations. I develop a novel variable screening method that transcends traditional linear assumptions by leveraging mutual information, with an intended application in neuroimaging data. This approach allows for accurate identification of important variables by capturing nonlinear as well as linear relationships between the outcome and covariates. Building on this foundation, I develop new optimization methods for sparse estimation using nonconvex penalties in my second manuscript. These methods address notable challenges in current statistical computing practices, facilitating computationally efficient and robust analyses of complex datasets. The proposed method can be applied to a general class of optimization problems. In my third manuscript, I contribute to robust modeling of high-dimensional correlated observations by developing a mixed-effects model based on Tsallis power-law entropy maximization and discussed the theoretical properties of such distribution. This model surpasses the constraints of conventional Gaussian models by accommodating a broader class of distributions with enhanced robustness to outliers. Additionally, I develop a proximal nonlinear conjugate gradient algorithm that accelerates convergence while maintaining numerical stability, along with rigorous statistical properties for the proposed framework.

Although pretrained language models can be fine-tuned to produce state-of-the-art results for a very wide range of language understanding tasks, the dynamics of this process are not well understood, especially in the low data regime. Why can we use relatively vanilla gradient descent algorithms (e.g., without strong regularization) to tune a model with hundreds of millions of parameters on datasets with only hundreds or thousands of labeled examples? In this paper, we argue that analyzing fine-tuning through the lens of intrinsic dimension provides us with empirical and theoretical intuitions to explain this remarkable phenomenon. We empirically show that common pre-trained models have a very low intrinsic dimension; in other words, there exists a low dimension reparameterization that is as effective for fine-tuning as the full parameter space. For example, by optimizing only 200 trainable parameters randomly projected back into the full space, we can tune a RoBERTa model to achieve 90\% of the full parameter performance levels on MRPC. Furthermore, we empirically show that pre-training implicitly minimizes intrinsic dimension and, perhaps surprisingly, larger models tend to have lower intrinsic dimension after a fixed number of pre-training updates, at least in part explaining their extreme effectiveness. Lastly, we connect intrinsic dimensionality with low dimensional task representations and compression based generalization bounds to provide intrinsic-dimension-based generalization bounds that are independent of the full parameter count.

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible in closed form, so prior methods resort to imprecise approximations of the score matching training objective that degrade performance and preclude applications in high dimensions. In this work, we reexamine these approximations and propose several practical improvements. Our key observation is that most relevant manifolds are symmetric spaces, which are much more amenable to computation. By leveraging and combining various ans\"{a}tze, we can quickly compute relevant quantities to high precision. On low dimensional datasets, our correction produces a noticeable improvement, allowing diffusion to compete with other methods. Additionally, we show that our method enables us to scale to high dimensional tasks on nontrivial manifolds. In particular, we model QCD densities on SU(n) lattices and contrastively learned embeddings on high dimensional hyperspheres.

Dense retrieval represents queries and documents as high-dimensional embeddings, but these representations can be redundant at the query level: for a given information need, only a subset of dimensions is consistently helpful for ranking. Prior work addresses this via pseudo-relevance feedback (PRF) based dimension importance estimation, which can produce query-aware masks without labeled data but often relies on noisy pseudo signals and heuristic test-time procedures. In contrast, supervised adapter methods leverage relevance labels to improve embedding quality, yet they learn global transformations shared across queries and do not explicitly model query-aware dimension importance. We propose a Query-Aware Adaptive Dimension Selection framework that learns to predict per-dimension importance directly from query embedding. We first construct oracle dimension importance distributions over embedding dimensions using supervised relevance labels, and then train a predictor to map a query embedding to these label-distilled importance scores. At inference, the predictor selects a query-aware subset of dimensions for similarity computation based solely on the query embedding, without pseudo-relevance feedback. Experiments across multiple dense retrievers and benchmarks show that our learned dimension selector improves retrieval effectiveness over the full-dimensional baseline as well as PRF-based masking and supervised adapter baselines.

We perform an average case analysis of the generalization dynamics of large neural networks trained using gradient descent. We study the practically-relevant "high-dimensional" regime where the number of free parameters in the network is on the order of or even larger than the number of examples in the dataset. Using random matrix theory and exact solutions in linear models, we derive the generalization error and training error dynamics of learning and analyze how they depend on the dimensionality of data and signal to noise ratio of the learning problem. We find that the dynamics of gradient descent learning naturally protect against overtraining and overfitting in large networks. Overtraining is worst at intermediate network sizes, when the effective number of free parameters equals the number of samples, and thus can be reduced by making a network smaller or larger. Additionally, in the high-dimensional regime, low generalization error requires starting with small initial weights. We then turn to non-linear neural networks, and show that making networks very large does not harm their generalization performance. On the contrary, it can in fact reduce overtraining, even without early stopping or regularization of any sort. We identify two novel phenomena underlying this behavior in overcomplete models: first, there is a frozen subspace of the weights in which no learning occurs under gradient descent; and second, the statistical properties of the high-dimensional regime yield better-conditioned input correlations which protect against overtraining. We demonstrate that naive application of worst-case theories such as Rademacher complexity are inaccurate in predicting the generalization performance of deep neural networks, and derive an alternative bound which incorporates the frozen subspace and conditioning effects and qualitatively matches the behavior observed in simulation.

Efficient long-context modeling remains a critical challenge for natural language processing (NLP), as the time complexity of the predominant Transformer architecture scales quadratically with the sequence length. While state-space models (SSMs) offer alternative sub-quadratic solutions, they struggle to capture long-range dependencies effectively. In this work, we focus on analyzing and improving the long-context modeling capabilities of SSMs. We show that the widely used synthetic task, associative recall, which requires a model to recall a value associated with a single key without context, insufficiently represents the complexities of real-world long-context modeling. To address this limitation, we extend the associative recall to a novel synthetic task, joint recall, which requires a model to recall the value associated with a key given in a specified context. Theoretically, we prove that SSMs do not have the expressiveness to solve multi-query joint recall in sub-quadratic time complexity. To resolve this issue, we propose a solution based on integrating SSMs with Context-Dependent Sparse Attention (CDSA), which has the expressiveness to solve multi-query joint recall with sub-quadratic computation. To bridge the gap between theoretical analysis and real-world applications, we propose locality-sensitive Hashing Attention with sparse Key Selection (HAX), which instantiates the theoretical solution and is further tailored to natural language domains. Extensive experiments on both synthetic and real-world long-context benchmarks show that HAX consistently outperforms SSM baselines and SSMs integrated with context-independent sparse attention (CISA).

Quantum processors may enhance machine learning by mapping high-dimensional data onto quantum systems for processing. Conventional feature maps, for encoding data onto a quantum circuit are currently impractical, as the number of entangling gates scales quadratically with the dimension of the dataset and the number of qubits. In this work, we introduce a quantum feature map designed to handle high-dimensional data with a significantly reduced number of qubits and entangling operations. Our approach preserves essential data characteristics while promoting computational efficiency, as evidenced by extensive experiments on benchmark datasets that demonstrate a marked improvement in both accuracy and resource utilization when using our feature map as a kernel for characterization, as compared to state-of-the-art quantum feature maps. Our noisy simulation results, combined with lower resource requirements, highlight our map's ability to function within the constraints of noisy intermediate-scale quantum devices. Through numerical simulations and small-scale implementation on a superconducting circuit quantum computing platform, we demonstrate that our scheme performs on par or better than a set of classical algorithms for classification. While quantum kernels are typically stymied by exponential concentration, our approach is affected with a slower rate with respect to both the number of qubits and features, which allows practical applications to remain within reach. Our findings herald a promising avenue for the practical implementation of quantum machine learning algorithms on near future quantum computing platforms.

Currently, high-dimensional data is ubiquitous in data science, which necessitates the development of techniques to decompose and interpret such multidimensional (aka tensor) datasets. Finding a low dimensional representation of the data, that is, its inherent structure, is one of the approaches that can serve to understand the dynamics of low dimensional latent features hidden in the data. Nonnegative RESCAL is one such technique, particularly well suited to analyze self-relational data, such as dynamic networks found in international trade flows. Nonnegative RESCAL computes a low dimensional tensor representation by finding the latent space containing multiple modalities. Estimating the dimensionality of this latent space is crucial for extracting meaningful latent features. Here, to determine the dimensionality of the latent space with nonnegative RESCAL, we propose a latent dimension determination method which is based on clustering of the solutions of multiple realizations of nonnegative RESCAL decompositions. We demonstrate the performance of our model selection method on synthetic data and then we apply our method to decompose a network of international trade flows data from International Monetary Fund and validate the resulting features against empirical facts from economic literature.

A core limitation of standard softmax attention is that it does not define a notion of absolute query--key relevance: attention weights are obtained by redistributing a fixed unit mass across all keys according to their relative scores. As a result, relevance is defined only relative to competing keys, and irrelevant keys cannot be explicitly rejected. We introduce Multiscreen, a language-model architecture built around a mechanism we call screening, which enables absolute query--key relevance. Instead of redistributing attention across all keys, screening evaluates each key against an explicit threshold, discarding irrelevant keys and aggregating the remaining keys, thereby removing global competition among keys. Across experiments, Multiscreen achieves comparable validation loss with approximately 40% fewer parameters than a Transformer baseline and enables stable optimization at substantially larger learning rates. It maintains strong performance in long-context perplexity and shows little to no degradation in retrieval performance well beyond the training context length. Notably, even at the training context length, a Multiscreen model with approximately 92% fewer parameters consistently outperforms a larger Transformer in retrieval accuracy. Finally, Multiscreen reduces inference latency by up to 3.2times at 100K context length.

Softmax-based dot-product attention is a cornerstone of Transformer architectures, enabling remarkable capabilities such as in-context learning. However, as context lengths increase, a fundamental limitation of the softmax function emerges: it tends to diffuse probability mass to irrelevant tokens degrading performance in long-sequence scenarios. Furthermore, attempts to sharpen focus by lowering softmax temperature hinder learnability due to vanishing gradients. We introduce LUCID Attention, an architectural modification that applies a preconditioner to the attention probabilities. This preconditioner, derived from exponentiated key-key similarities, minimizes overlap between the keys in a Reproducing Kernel Hilbert Space, thus allowing the query to focus on important keys among large number of keys accurately with same computational complexity as standard attention. Additionally, LUCID's preconditioning-based approach to retrieval bypasses the need for low temperature and the learnability problems associated with it. We validate our approach by training ~1 billion parameter language models evaluated on up to 128K tokens. Our results demonstrate significant gains on long-context retrieval tasks, specifically retrieval tasks from BABILong, RULER, SCROLLS and LongBench. For instance, LUCID achieves up to 18% improvement in BABILong and 14% improvement in RULER multi-needle performance compared to standard attention.

Large language models have an exceptional capability to incorporate new information in a contextual manner. However, the full potential of such an approach is often restrained due to a limitation in the effective context length. One solution to this issue is to endow an attention layer with access to an external memory, which comprises of (key, value) pairs. Yet, as the number of documents increases, the proportion of relevant keys to irrelevant ones decreases, leading the model to focus more on the irrelevant keys. We identify a significant challenge, dubbed the distraction issue, where keys linked to different semantic values might overlap, making them hard to distinguish. To tackle this problem, we introduce the Focused Transformer (FoT), a technique that employs a training process inspired by contrastive learning. This novel approach enhances the structure of the (key, value) space, enabling an extension of the context length. Our method allows for fine-tuning pre-existing, large-scale models to lengthen their effective context. This is demonstrated by our fine-tuning of 3B and 7B OpenLLaMA checkpoints. The resulting models, which we name LongLLaMA, exhibit advancements in tasks requiring a long context. We further illustrate that our LongLLaMA models adeptly manage a 256 k context length for passkey retrieval.

The article explores an encoding and structural information processing approach using sparse bit vectors and fixed-length linear vectors. The following are presented: a discrete method of speculative stochastic dimensionality reduction of multidimensional code and linear spaces with linear asymptotic complexity; a geometric method for obtaining discrete embeddings of an organised code space that reflect the internal structure of a given modality. The structure and properties of a code space are investigated using three modalities as examples: morphology of Russian and English languages, and immunohistochemical markers. Parallels are drawn between the resulting map of the code space layout and so-called pinwheels appearing on the mammalian neocortex. A cautious assumption is made about similarities between neocortex organisation and processes happening in our models.

Dual encoders perform retrieval by encoding documents and queries into dense lowdimensional vectors, scoring each document by its inner product with the query. We investigate the capacity of this architecture relative to sparse bag-of-words models and attentional neural networks. Using both theoretical and empirical analysis, we establish connections between the encoding dimension, the margin between gold and lower-ranked documents, and the document length, suggesting limitations in the capacity of fixed-length encodings to support precise retrieval of long documents. Building on these insights, we propose a simple neural model that combines the efficiency of dual encoders with some of the expressiveness of more costly attentional architectures, and explore sparse-dense hybrids to capitalize on the precision of sparse retrieval. These models outperform strong alternatives in large-scale retrieval.

We study the problem of visualizing large-scale and high-dimensional data in a low-dimensional (typically 2D or 3D) space. Much success has been reported recently by techniques that first compute a similarity structure of the data points and then project them into a low-dimensional space with the structure preserved. These two steps suffer from considerable computational costs, preventing the state-of-the-art methods such as the t-SNE from scaling to large-scale and high-dimensional data (e.g., millions of data points and hundreds of dimensions). We propose the LargeVis, a technique that first constructs an accurately approximated K-nearest neighbor graph from the data and then layouts the graph in the low-dimensional space. Comparing to t-SNE, LargeVis significantly reduces the computational cost of the graph construction step and employs a principled probabilistic model for the visualization step, the objective of which can be effectively optimized through asynchronous stochastic gradient descent with a linear time complexity. The whole procedure thus easily scales to millions of high-dimensional data points. Experimental results on real-world data sets demonstrate that the LargeVis outperforms the state-of-the-art methods in both efficiency and effectiveness. The hyper-parameters of LargeVis are also much more stable over different data sets.

This paper introduces a structured memory which can be easily integrated into a neural network. The memory is very large by design and significantly increases the capacity of the architecture, by up to a billion parameters with a negligible computational overhead. Its design and access pattern is based on product keys, which enable fast and exact nearest neighbor search. The ability to increase the number of parameters while keeping the same computational budget lets the overall system strike a better trade-off between prediction accuracy and computation efficiency both at training and test time. This memory layer allows us to tackle very large scale language modeling tasks. In our experiments we consider a dataset with up to 30 billion words, and we plug our memory layer in a state-of-the-art transformer-based architecture. In particular, we found that a memory augmented model with only 12 layers outperforms a baseline transformer model with 24 layers, while being twice faster at inference time. We release our code for reproducibility purposes.

We propose Hyper-Dimensional Function Encoding (HDFE). Given samples of a continuous object (e.g. a function), HDFE produces an explicit vector representation of the given object, invariant to the sample distribution and density. Sample distribution and density invariance enables HDFE to consistently encode continuous objects regardless of their sampling, and therefore allows neural networks to receive continuous objects as inputs for machine learning tasks, such as classification and regression. Besides, HDFE does not require any training and is proved to map the object into an organized embedding space, which facilitates the training of the downstream tasks. In addition, the encoding is decodable, which enables neural networks to regress continuous objects by regressing their encodings. Therefore, HDFE serves as an interface for processing continuous objects. We apply HDFE to function-to-function mapping, where vanilla HDFE achieves competitive performance as the state-of-the-art algorithm. We apply HDFE to point cloud surface normal estimation, where a simple replacement from PointNet to HDFE leads to immediate 12% and 15% error reductions in two benchmarks. In addition, by integrating HDFE into the PointNet-based SOTA network, we improve the SOTA baseline by 2.5% and 1.7% in the same benchmarks.

Key-value (KV) caching is widely used to accelerate transformer inference, but its memory cost grows linearly with input length, limiting long-context deployment. Existing token eviction methods reduce memory by discarding less important tokens, which can be viewed as a coarse form of dimensionality reduction that assigns each token either zero or full dimension. We propose MixedDimKV, a mixed-dimension KV cache compression method that allocates dimensions to tokens at a more granular level, and MixedDimKV-H, which further integrates head-level importance information. Experiments on long-context benchmarks show that MixedDimKV outperforms prior KV cache compression methods that do not rely on head-level importance profiling. When equipped with the same head-level importance information, MixedDimKV-H consistently outperforms HeadKV. Notably, our approach achieves comparable performance to full attention on LongBench with only 6.25% of the KV cache. Furthermore, in the Needle-in-a-Haystack test, our solution maintains 100% accuracy at a 50K context length while using as little as 0.26% of the cache.

We explore a class of adversarial attacks targeting the activations of language models. By manipulating a relatively small subset of model activations, a, we demonstrate the ability to control the exact prediction of a significant number (in some cases up to 1000) of subsequent tokens t. We empirically verify a scaling law where the maximum number of target tokens t_max predicted depends linearly on the number of tokens a whose activations the attacker controls as t_max = kappa a. We find that the number of bits of control in the input space needed to control a single bit in the output space (what we call attack resistance chi) is remarkably constant between approx 16 and approx 25 over 2 orders of magnitude of model sizes for different language models. Compared to attacks on tokens, attacks on activations are predictably much stronger, however, we identify a surprising regularity where one bit of input steered either via activations or via tokens is able to exert control over a similar amount of output bits. This gives support for the hypothesis that adversarial attacks are a consequence of dimensionality mismatch between the input and output spaces. A practical implication of the ease of attacking language model activations instead of tokens is for multi-modal and selected retrieval models, where additional data sources are added as activations directly, sidestepping the tokenized input. This opens up a new, broad attack surface. By using language models as a controllable test-bed to study adversarial attacks, we were able to experiment with input-output dimensions that are inaccessible in computer vision, especially where the output dimension dominates.

The curse-of-dimensionality taxes computational resources heavily with exponentially increasing computational cost as the dimension increases. This poses great challenges in solving high-dimensional PDEs, as Richard E. Bellman first pointed out over 60 years ago. While there has been some recent success in solving numerically partial differential equations (PDEs) in high dimensions, such computations are prohibitively expensive, and true scaling of general nonlinear PDEs to high dimensions has never been achieved. We develop a new method of scaling up physics-informed neural networks (PINNs) to solve arbitrary high-dimensional PDEs. The new method, called Stochastic Dimension Gradient Descent (SDGD), decomposes a gradient of PDEs into pieces corresponding to different dimensions and randomly samples a subset of these dimensional pieces in each iteration of training PINNs. We prove theoretically the convergence and other desired properties of the proposed method. We demonstrate in various diverse tests that the proposed method can solve many notoriously hard high-dimensional PDEs, including the Hamilton-Jacobi-Bellman (HJB) and the Schrödinger equations in tens of thousands of dimensions very fast on a single GPU using the PINNs mesh-free approach. Notably, we solve nonlinear PDEs with nontrivial, anisotropic, and inseparable solutions in 100,000 effective dimensions in 12 hours on a single GPU using SDGD with PINNs. Since SDGD is a general training methodology of PINNs, it can be applied to any current and future variants of PINNs to scale them up for arbitrary high-dimensional PDEs.

Deep neural networks (DNNs) have been shown to outperform traditional machine learning algorithms in a broad variety of application domains due to their effectiveness in modeling complex problems and handling high-dimensional datasets. Many real-life datasets, however, are of increasingly high dimensionality, where a large number of features may be irrelevant for both supervised and unsupervised learning tasks. The inclusion of such features would not only introduce unwanted noise but also increase computational complexity. Furthermore, due to high non-linearity and dependency among a large number of features, DNN models tend to be unavoidably opaque and perceived as black-box methods because of their not well-understood internal functioning. Their algorithmic complexity is often simply beyond the capacities of humans to understand the interplay among myriads of hyperparameters. A well-interpretable model can identify statistically significant features and explain the way they affect the model's outcome. In this paper, we propose an efficient method to improve the interpretability of black-box models for classification tasks in the case of high-dimensional datasets. First, we train a black-box model on a high-dimensional dataset to learn the embeddings on which the classification is performed. To decompose the inner working principles of the black-box model and to identify top-k important features, we employ different probing and perturbing techniques. We then approximate the behavior of the black-box model by means of an interpretable surrogate model on the top-k feature space. Finally, we derive decision rules and local explanations from the surrogate model to explain individual decisions. Our approach outperforms state-of-the-art methods like TabNet and XGboost when tested on different datasets with varying dimensionality between 50 and 20,000 w.r.t metrics and explainability.

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities. Dimensional collapse also known as the "underfilling" phenomenon is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called local dimensionality regularization (LDReg). Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

Dimensionality reduction is crucial both for visualization and preprocessing high dimensional data for machine learning. We introduce a novel method based on a hierarchy built on 1-nearest neighbor graphs in the original space which is used to preserve the grouping properties of the data distribution on multiple levels. The core of the proposal is an optimization-free projection that is competitive with the latest versions of t-SNE and UMAP in performance and visualization quality while being an order of magnitude faster in run-time. Furthermore, its interpretable mechanics, the ability to project new data, and the natural separation of data clusters in visualizations make it a general purpose unsupervised dimension reduction technique. In the paper, we argue about the soundness of the proposed method and evaluate it on a diverse collection of datasets with sizes varying from 1K to 11M samples and dimensions from 28 to 16K. We perform comparisons with other state-of-the-art methods on multiple metrics and target dimensions highlighting its efficiency and performance. Code is available at https://github.com/koulakis/h-nne

As the length of input text increases, the key-value (KV) cache in LLMs imposes prohibitive GPU memory costs and limits long-context inference on resource constrained devices. Existing approaches, such as KV quantization and pruning, reduce memory usage but suffer from numerical precision loss or suboptimal retention of key-value pairs. In this work, Low Rank Query and Key attention (LRQK) is introduced, a two-stage framework that jointly decomposes full-precision query and key matrices into compact rank-\(r\) factors during the prefill stage, and then employs these low-dimensional projections to compute proxy attention scores in \(O(lr)\) time at each decode step. By selecting only the top-\(k\) tokens and a small fixed set of recent tokens, LRQK employs a mixed GPU-CPU cache with a hit-and-miss mechanism where only missing full-precision KV pairs are transferred, thereby preserving exact attention outputs while reducing CPU-GPU data movement. Extensive experiments on the RULER and LongBench benchmarks with LLaMA-3-8B and Qwen2.5-7B demonstrate that LRQK matches or surpasses leading sparse-attention methods in long context settings, while delivering significant memory savings with minimal accuracy loss. Our code is available at https://github.com/tenghuilee/LRQK.

Retrieval-Augmented Generation (RAG) has emerged as a powerful paradigm for grounding large language models in external knowledge sources, improving the precision of agents responses. However, high-dimensional language model embeddings, often in the range of hundreds to thousands of dimensions, can present scalability challenges in terms of storage and latency, especially when processing massive financial text corpora. This paper investigates the use of Principal Component Analysis (PCA) to reduce embedding dimensionality, thereby mitigating computational bottlenecks without incurring large accuracy losses. We experiment with a real-world dataset and compare different similarity and distance metrics under both full-dimensional and PCA-compressed embeddings. Our results show that reducing vectors from 3,072 to 110 dimensions provides a sizeable (up to 60times) speedup in retrieval operations and a sim 28.6times reduction in index size, with only moderate declines in correlation metrics relative to human-annotated similarity scores. These findings demonstrate that PCA-based compression offers a viable balance between retrieval fidelity and resource efficiency, essential for real-time systems such as Zanista AI's Newswitch platform. Ultimately, our study underscores the practicality of leveraging classical dimensionality reduction techniques to scale RAG architectures for knowledge-intensive applications in finance and trading, where speed, memory efficiency, and accuracy must jointly be optimized.

We introduce a novel class of sample-based explanations we term high-dimensional representers, that can be used to explain the predictions of a regularized high-dimensional model in terms of importance weights for each of the training samples. Our workhorse is a novel representer theorem for general regularized high-dimensional models, which decomposes the model prediction in terms of contributions from each of the training samples: with positive (negative) values corresponding to positive (negative) impact training samples to the model's prediction. We derive consequences for the canonical instances of ell_1 regularized sparse models, and nuclear norm regularized low-rank models. As a case study, we further investigate the application of low-rank models in the context of collaborative filtering, where we instantiate high-dimensional representers for specific popular classes of models. Finally, we study the empirical performance of our proposed methods on three real-world binary classification datasets and two recommender system datasets. We also showcase the utility of high-dimensional representers in explaining model recommendations.

Hyperdimensional computing (HDC) is a biologically-inspired framework which represents symbols with high-dimensional vectors, and uses vector operations to manipulate them. The ensemble of a particular vector space and a prescribed set of vector operations (including one addition-like for "bundling" and one outer-product-like for "binding") form a *vector symbolic architecture* (VSA). While VSAs have been employed in numerous applications and have been studied empirically, many theoretical questions about VSAs remain open. We analyze the *representation capacities* of four common VSAs: MAP-I, MAP-B, and two VSAs based on sparse binary vectors. "Representation capacity' here refers to bounds on the dimensions of the VSA vectors required to perform certain symbolic tasks, such as testing for set membership i in S and estimating set intersection sizes |X cap Y| for two sets of symbols X and Y, to a given degree of accuracy. We also analyze the ability of a novel variant of a Hopfield network (a simple model of associative memory) to perform some of the same tasks that are typically asked of VSAs. In addition to providing new bounds on VSA capacities, our analyses establish and leverage connections between VSAs, "sketching" (dimensionality reduction) algorithms, and Bloom filters.

Many fields use search algorithms, which automatically explore a search space to find high-performing solutions: chemists search through the space of molecules to discover new drugs; engineers search for stronger, cheaper, safer designs, scientists search for models that best explain data, etc. The goal of search algorithms has traditionally been to return the single highest-performing solution in a search space. Here we describe a new, fundamentally different type of algorithm that is more useful because it provides a holistic view of how high-performing solutions are distributed throughout a search space. It creates a map of high-performing solutions at each point in a space defined by dimensions of variation that a user gets to choose. This Multi-dimensional Archive of Phenotypic Elites (MAP-Elites) algorithm illuminates search spaces, allowing researchers to understand how interesting attributes of solutions combine to affect performance, either positively or, equally of interest, negatively. For example, a drug company may wish to understand how performance changes as the size of molecules and their cost-to-produce vary. MAP-Elites produces a large diversity of high-performing, yet qualitatively different solutions, which can be more helpful than a single, high-performing solution. Interestingly, because MAP-Elites explores more of the search space, it also tends to find a better overall solution than state-of-the-art search algorithms. We demonstrate the benefits of this new algorithm in three different problem domains ranging from producing modular neural networks to designing simulated and real soft robots. Because MAP- Elites (1) illuminates the relationship between performance and dimensions of interest in solutions, (2) returns a set of high-performing, yet diverse solutions, and (3) improves finding a single, best solution, it will advance science and engineering.

Identifying low-dimensional latent structures within high-dimensional data has long been a central topic in the machine learning community, driven by the need for data compression, storage, transmission, and deeper data understanding. Traditional methods, such as principal component analysis (PCA) and autoencoders (AE), operate in an unsupervised manner, ignoring label information even when it is available. In this work, we introduce a unified method capable of learning latent spaces in both unsupervised and supervised settings. We formulate the problem as a nonlinear multiple-response regression within an index model context. By applying the generalized Stein's lemma, the latent space can be estimated without knowing the nonlinear link functions. Our method can be viewed as a nonlinear generalization of PCA. Moreover, unlike AE and other neural network methods that operate as "black boxes", our approach not only offers better interpretability but also reduces computational complexity while providing strong theoretical guarantees. Comprehensive numerical experiments and real data analyses demonstrate the superior performance of our method.

Many methods in differentially private model training rely on computing the similarity between a query point (such as public or synthetic data) and private data. We abstract out this common subroutine and study the following fundamental algorithmic problem: Given a similarity function f and a large high-dimensional private dataset X subset R^d, output a differentially private (DP) data structure which approximates sum_{x in X} f(x,y) for any query y. We consider the cases where f is a kernel function, such as f(x,y) = e^{-|x-y|_2^2/sigma^2} (also known as DP kernel density estimation), or a distance function such as f(x,y) = |x-y|_2, among others. Our theoretical results improve upon prior work and give better privacy-utility trade-offs as well as faster query times for a wide range of kernels and distance functions. The unifying approach behind our results is leveraging `low-dimensional structures' present in the specific functions f that we study, using tools such as provable dimensionality reduction, approximation theory, and one-dimensional decomposition of the functions. Our algorithms empirically exhibit improved query times and accuracy over prior state of the art. We also present an application to DP classification. Our experiments demonstrate that the simple methodology of classifying based on average similarity is orders of magnitude faster than prior DP-SGD based approaches for comparable accuracy.

Recent large language model applications, such as Retrieval-Augmented Generation and chatbots, have led to an increased need to process longer input contexts. However, this requirement is hampered by inherent limitations. Architecturally, models are constrained by a context window defined during training. Additionally, processing extensive texts requires substantial GPU memory. We propose a novel approach, Finch, to compress the input context by leveraging the pre-trained model weights of the self-attention. Given a prompt and a long text, Finch iteratively identifies the most relevant Key (K) and Value (V) pairs over chunks of the text conditioned on the prompt. Only such pairs are stored in the KV cache, which, within the space constrained by the context window, ultimately contains a compressed version of the long text. Our proposal enables models to consume large inputs even with high compression (up to 93x) while preserving semantic integrity without the need for fine-tuning.

The increasing size of the Key-Value (KV) cache during the Large Language Models long-context inference is the main obstacle for its balance between the deployment cost and task accuracy. To reduce the KV cache size in such scenarios, most previous efforts leveraged on the attention weight to evict non-critical cache tokens. But there is a trade-off in those methods, they usually require major modifiation of the inference infrastructure and significant computation overhead. Base on the fact that the Large Lanuage models are autoregresssive models, we propose {\it LagKV}, a KV allocation strategy only relying on straight forward comparison among KV themself. It is a totally attention free method which offers easy integration to the main stream inference platform and comparable performance comparing to other complicated KV compression methods. Results on LongBench and PasskeyRetrieval show that, our approach achieves nearly zero loss when the ratio is 2times and approx 90% of the original model performance for 8times. Especially in the 64-digit passkey retrieval task, our mehod outperforms the attention weight based method H_2O over 60% with same compression ratios. Our code is available at https://github.com/AI-Lab-China-Merchants-Bank/LagKV.

Recently, large vision-language models (LVLMs) have rapidly gained popularity for their strong generation and reasoning capabilities given diverse multimodal inputs. However, these models incur significant computational and memory overhead during inference, which greatly hinders the efficient deployment in practical scenarios. The extensive key-value (KV) cache, necessitated by the lengthy input and output sequences, notably contributes to the high inference cost. Based on this, recent works have investigated ways to reduce the KV cache size for higher efficiency. Although effective, they generally overlook the distinct importance distributions of KV vectors across layers and maintain the same cache size for each layer during the next token prediction. This results in the significant contextual information loss for certain layers, leading to notable performance decline. To address this, we present PrefixKV. It reframes the challenge of determining KV cache sizes for all layers into the task of searching for the optimal global prefix configuration. With an adaptive layer-wise KV retention recipe based on binary search, the maximum contextual information can thus be preserved in each layer, facilitating the generation. Extensive experiments demonstrate that our method achieves the state-of-the-art performance compared with others. It exhibits superior inference efficiency and generation quality trade-offs, showing promising potential for practical applications. Code is available at https://github.com/THU-MIG/PrefixKV.

The semantic matching capabilities of neural information retrieval can ameliorate synonymy and polysemy problems of symbolic approaches. However, neural models' dense representations are more suitable for re-ranking, due to their inefficiency. Sparse representations, either in symbolic or latent form, are more efficient with an inverted index. Taking the merits of the sparse and dense representations, we propose an ultra-high dimensional (UHD) representation scheme equipped with directly controllable sparsity. UHD's large capacity and minimal noise and interference among the dimensions allow for binarized representations, which are highly efficient for storage and search. Also proposed is a bucketing method, where the embeddings from multiple layers of BERT are selected/merged to represent diverse linguistic aspects. We test our models with MS MARCO and TREC CAR, showing that our models outperforms other sparse models

The key-value (KV) cache accelerates LLMs decoding by storing KV tensors from previously generated tokens. It reduces redundant computation at the cost of increased memory usage. To mitigate this overhead, existing approaches compress KV tensors into lower-bit representations; however, quantization errors can accumulate as more tokens are generated, potentially resulting in undesired outputs. In this paper, we introduce SQuat (Subspace-orthogonal KV cache quantization). It first constructs a subspace spanned by query tensors to capture the most critical task-related information. During key tensor quantization, it enforces that the difference between the (de)quantized and original keys remains orthogonal to this subspace, minimizing the impact of quantization errors on the attention mechanism's outputs. SQuat requires no model fine-tuning, no additional calibration dataset for offline learning, and is grounded in a theoretical framework we develop. Through numerical experiments, we show that our method reduces peak memory by 2.17 to 2.82, improves throughput by 2.45 to 3.60, and achieves more favorable benchmark scores than existing KV cache quantization algorithms.

Why do even the most powerful 7B-parameter embedding models struggle with simple retrieval tasks that the decades old BM25 handles with ease? Recent theory suggests that this happens because of a dimensionality bottleneck. This occurs when we force infinite linguistic nuances into small, fixed-length learned vectors. We developed NUMEN to break this bottleneck by removing the learning process entirely. Instead of training heavy layers to map text to a constrained space, NUMEN uses deterministic character hashing to project language directly onto high-dimensional vectors. This approach requires no training, supports an unlimited vocabulary, and allows the geometric capacity scale as needed. On the LIMIT benchmark, NUMEN achieves 93.90 % Recall@100 at 32,768 dimensions. This makes it the first dense retrieval model to officially surpass the sparse BM25 baseline 93.6 %. Our findings show that the real problem in dense retrieval isn't the architecture, but the embedding layer itself. The solution isn't necessarily smarter training, but simply providing more room to breathe.

Driven by advances in recording technology, large-scale high-dimensional datasets have emerged across many scientific disciplines. Especially in biology, clustering is often used to gain insights into the structure of such datasets, for instance to understand the organization of different cell types. However, clustering is known to scale poorly to high dimensions, even though the exact impact of dimensionality is unclear as current benchmark datasets are mostly two-dimensional. Here we propose MNIST-Nd, a set of synthetic datasets that share a key property of real-world datasets, namely that individual samples are noisy and clusters do not perfectly separate. MNIST-Nd is obtained by training mixture variational autoencoders with 2 to 64 latent dimensions on MNIST, resulting in six datasets with comparable structure but varying dimensionality. It thus offers the chance to disentangle the impact of dimensionality on clustering. Preliminary common clustering algorithm benchmarks on MNIST-Nd suggest that Leiden is the most robust for growing dimensions.

Large language models (LLMs) often need to incorporate external knowledge to solve theme-specific problems. Retrieval-augmented generation (RAG) has shown its high promise, empowering LLMs to generate more qualified responses with retrieved external data and knowledge. However, most RAG methods retrieve relevant documents based on either sparse or dense retrieval methods or their combinations, which overlooks the essential, multi-dimensional, and structured semantic information present in documents. This structured information plays a critical role in finding concise yet highly relevant information for domain knowledge-intensive tasks, such as scientific question-answering (QA). In this work, we introduce a multi-dimensional (cube) structure, Hypercube, which can index and allocate documents in a pre-defined multi-dimensional space. Built on the hypercube, we further propose Hypercube-RAG, a novel RAG framework for precise and efficient retrieval. Given a query, Hypercube-RAG first decomposes it based on its entities, phrases, and topics along with pre-defined hypercube dimensions, and then retrieves relevant documents from cubes by aligning these decomposed components with corresponding dimensions. Experiments on three datasets across different domains demonstrate that our method improves response accuracy by 3.7% and retrieval accuracy by 5.3% over the strongest RAG baseline. It also boosts retrieval efficiency (speed) by one or two magnitudes faster than graph-based RAG. Notably, our Hypercube-RAG inherently offers explainability by revealing those underlying dimensions used for retrieval. The code and data are available at https://github.com/JimengShi/Hypercube-RAG.

In high dimension, low sample size (HDLSS) settings, classifiers based on Euclidean distances like the nearest neighbor classifier and the average distance classifier perform quite poorly if differences between locations of the underlying populations get masked by scale differences. To rectify this problem, several modifications of these classifiers have been proposed in the literature. However, existing methods are confined to location and scale differences only, and often fail to discriminate among populations differing outside of the first two moments. In this article, we propose some simple transformations of these classifiers resulting into improved performance even when the underlying populations have the same location and scale. We further propose a generalization of these classifiers based on the idea of grouping of variables. The high-dimensional behavior of the proposed classifiers is studied theoretically. Numerical experiments with a variety of simulated examples as well as an extensive analysis of real data sets exhibit advantages of the proposed methods.

In this work, we demonstrate that distinctive keys during LLM inference tend to have high attention scores. We explore this phenomenon and propose KeyDiff, a training-free KV cache eviction method based on key similarity. This method facilitates the deployment of LLM-based application requiring long input prompts in resource-constrained environments with limited memory and compute budgets. Unlike other KV cache eviction methods, KeyDiff can process arbitrarily long prompts within strict resource constraints and efficiently generate responses. We demonstrate that KeyDiff computes the optimal solution to a KV cache selection problem that maximizes key diversity, providing a theoretical understanding of KeyDiff. Notably,KeyDiff does not rely on attention scores, allowing the use of optimized attention mechanisms like FlashAttention. We demonstrate the effectiveness of KeyDiff across diverse tasks and models, illustrating a performance gap of less than 0.04\% with 8K cache budget (sim 23\% KV cache reduction) from the non-evicting baseline on the LongBench benchmark for Llama 3.1-8B and Llama 3.2-3B.

Recent work has proposed the linear representation hypothesis: that language models perform computation by manipulating one-dimensional representations of concepts ("features") in activation space. In contrast, we explore whether some language model representations may be inherently multi-dimensional. We begin by developing a rigorous definition of irreducible multi-dimensional features based on whether they can be decomposed into either independent or non-co-occurring lower-dimensional features. Motivated by these definitions, we design a scalable method that uses sparse autoencoders to automatically find multi-dimensional features in GPT-2 and Mistral 7B. These auto-discovered features include strikingly interpretable examples, e.g. circular features representing days of the week and months of the year. We identify tasks where these exact circles are used to solve computational problems involving modular arithmetic in days of the week and months of the year. Finally, we provide evidence that these circular features are indeed the fundamental unit of computation in these tasks with intervention experiments on Mistral 7B and Llama 3 8B, and we find further circular representations by breaking down the hidden states for these tasks into interpretable components.

Several machine learning models are defined for inputs of any size, such as graphs with different numbers of nodes and point clouds containing varying numbers of points. The universality properties of such any-dimensional models remain poorly understood, as universality is traditionally studied for models accepting inputs of a fixed size, defined on a compact subset of their domain. In sharp contrast, any-dimensional models can be viewed as sequences of functions defined on growing-sized inputs, and it is not clear in which sense they can be universal. We develop a systematic approach to establish any-dimensional universality, by identifying any-dimensional functions with a unique function taking inputs in a suitable infinite-dimensional limit space containing inputs of all finite sizes as well as their limits. Using the symmetries of these inputs and relations between inputs of different sizes, we show that this limit space admits a natural topology with rich families of compact sets on which any-dimensional universality can be established. We illustrate our approach by showing that several existing architectures fail to be universal, and we propose simple modifications that restore universality.

The deployment of large language models (LLMs) is often hindered by the extensive memory requirements of the Key-Value (KV) cache, especially as context lengths increase. Existing approaches to reduce the KV cache size involve either fine-tuning the model to learn a compression strategy or leveraging attention scores to reduce the sequence length. We analyse the attention distributions in decoder-only Transformers-based models and observe that attention allocation patterns stay consistent across most layers. Surprisingly, we find a clear correlation between the L_2 and the attention scores over cached KV pairs, where a low L_2 of a key embedding usually leads to a high attention score during decoding. This finding indicates that the influence of a KV pair is potentially determined by the key embedding itself before being queried. Based on this observation, we compress the KV cache based on the L_2 of key embeddings. Our experimental results show that this simple strategy can reduce the KV cache size by 50% on language modelling and needle-in-a-haystack tasks and 90% on passkey retrieval tasks without losing accuracy.

Understanding when learning is statistically possible yet computationally hard is a central challenge in high-dimensional statistics. In this work, we investigate this question in the context of single- and multi-index models, classes of functions widely studied as benchmarks to probe the ability of machine learning methods to discover features in high-dimensional data. Our main contribution is to show that a Noise Sensitivity Exponent (NSE) - a simple quantity determined by the activation function - governs the existence and magnitude of statistical-to-computational gaps within a broad regime of these models. We first establish that, in single-index models with large additive noise, the onset of a computational bottleneck is fully characterized by the NSE. We then demonstrate that the same exponent controls a statistical-computational gap in the specialization transition of large separable multi-index models, where individual components become learnable. Finally, in hierarchical multi-index models, we show that the NSE governs the optimal computational rate in which different directions are sequentially learned. Taken together, our results identify the NSE as a unifying property linking noise robustness, computational hardness, and feature specialization in high-dimensional learning.

Grid-based approaches to approximate nearest neighbor (ANN) search have been absent from modern scaling analyses. We present a systematic characterization of a multiprobe grid algorithm with respect to dataset size N and dimensionality d. Our experiments reveal a previously unreported d-scaling crossover on the GloVe embedding family, in which multiprobe grid search maintains an approximately constant dimensional scaling exponent while other graph-, tree-, and partitioning-based methods exhibit degrading throughput. The advantage comes with near-linear query scaling in N, but also with lower indexing cost than competing ANN methods. Our results suggest that grid-based methods such as multiprobe grid may be competitive in rebuild-heavy or high-dimensional settings where indexing cost and dimensional robustness dictate performance. More broadly, recent work has formalized self-attention as an ANN operation. Thus, the N- and d-scaling properties of ANN algorithms may guide cost analysis of efficient transformer architectures. Code is available at: https://github.com/weiz345/MultiProbeANN.

Given a database of bit strings A_1,ldots,A_min {0,1}^n, a fundamental data structure task is to estimate the distances between a given query Bin {0,1}^n with all the strings in the database. In addition, one might further want to ensure the integrity of the database by releasing these distance statistics in a secure manner. In this work, we propose differentially private (DP) data structures for this type of tasks, with a focus on Hamming and edit distance. On top of the strong privacy guarantees, our data structures are also time- and space-efficient. In particular, our data structure is epsilon-DP against any sequence of queries of arbitrary length, and for any query B such that the maximum distance to any string in the database is at most k, we output m distance estimates. Moreover, - For Hamming distance, our data structure answers any query in widetilde O(mk+n) time and each estimate deviates from the true distance by at most widetilde O(k/e^{epsilon/log k}); - For edit distance, our data structure answers any query in widetilde O(mk^2+n) time and each estimate deviates from the true distance by at most widetilde O(k/e^{epsilon/(log k log n)}). For moderate k, both data structures support sublinear query operations. We obtain these results via a novel adaptation of the randomized response technique as a bit flipping procedure, applied to the sketched strings.

We show the existence of a Locality-Sensitive Hashing (LSH) family for the angular distance that yields an approximate Near Neighbor Search algorithm with the asymptotically optimal running time exponent. Unlike earlier algorithms with this property (e.g., Spherical LSH [Andoni, Indyk, Nguyen, Razenshteyn 2014], [Andoni, Razenshteyn 2015]), our algorithm is also practical, improving upon the well-studied hyperplane LSH [Charikar, 2002] in practice. We also introduce a multiprobe version of this algorithm, and conduct experimental evaluation on real and synthetic data sets. We complement the above positive results with a fine-grained lower bound for the quality of any LSH family for angular distance. Our lower bound implies that the above LSH family exhibits a trade-off between evaluation time and quality that is close to optimal for a natural class of LSH functions.

High-dimensional vector embeddings are widely used in retrieval systems, yet dimensionality reduction (DR) is seldom applied due to its tendency to distort nearest-neighbor (NN) structure critical for search. Existing DR techniques such as PCA and UMAP optimize global or manifold-preserving criteria, rather than retrieval-specific objectives. We present MPAD: Maximum Pairwise Absolute Difference, an unsupervised DR method that explicitly preserves approximate NN relations by maximizing the margin between k-NNs and non-k-NNs under a soft orthogonality constraint. This design enables MPAD to retain ANN-relevant geometry without supervision or changes to the original embedding model. Experiments across multiple domains show that MPAD consistently outperforms standard DR methods in preserving neighborhood structure, enabling more accurate search in reduced dimensions.

Efficient real-world deployments of large language models (LLMs) rely on Key-Value (KV) caching for processing and generating long outputs, reducing the need for repetitive computation. For large contexts, Key-Value caches can take up tens of gigabytes of device memory, as they store vector representations for each token and layer. Recent work has shown that the cached vectors can be compressed through quantization, pruning or merging, but these techniques often compromise quality towards higher compression rates. In this work, we aim to improve Key & Value compression by exploiting two observations: 1) the inherent dependencies between keys and values across different layers, and 2) high-compression mechanisms for internal network states. We propose AQUA-KV, an adaptive quantization for Key-Value caches that relies on compact adapters to exploit existing dependencies between Keys and Values, and aims to "optimally" compress the information that cannot be predicted. AQUA-KV significantly improves compression rates, while maintaining high accuracy on state-of-the-art LLM families. On Llama 3.2 LLMs, we achieve near-lossless inference at 2-2.5 bits per value with under 1% relative error in perplexity and LongBench scores. AQUA-KV is one-shot, simple, and efficient: it can be calibrated on a single GPU within 1-6 hours, even for 70B models.

Current recommender systems employ large-sized embedding tables with uniform dimensions for all features, leading to overfitting, high computational cost, and suboptimal generalizing performance. Many techniques aim to solve this issue by feature selection or embedding dimension search. However, these techniques typically select a fixed subset of features or embedding dimensions for all instances and feed all instances into one recommender model without considering heterogeneity between items or users. This paper proposes a novel instance-wise Hierarchical Architecture Search framework, iHAS, which automates neural architecture search at the instance level. Specifically, iHAS incorporates three stages: searching, clustering, and retraining. The searching stage identifies optimal instance-wise embedding dimensions across different field features via carefully designed Bernoulli gates with stochastic selection and regularizers. After obtaining these dimensions, the clustering stage divides samples into distinct groups via a deterministic selection approach of Bernoulli gates. The retraining stage then constructs different recommender models, each one designed with optimal dimensions for the corresponding group. We conduct extensive experiments to evaluate the proposed iHAS on two public benchmark datasets from a real-world recommender system. The experimental results demonstrate the effectiveness of iHAS and its outstanding transferability to widely-used deep recommendation models.

Deep representation learning has become one of the most widely adopted approaches for visual search, recommendation, and identification. Retrieval of such representations from a large database is however computationally challenging. Approximate methods based on learning compact representations, have been widely explored for this problem, such as locality sensitive hashing, product quantization, and PCA. In this work, in contrast to learning compact representations, we propose to learn high dimensional and sparse representations that have similar representational capacity as dense embeddings while being more efficient due to sparse matrix multiplication operations which can be much faster than dense multiplication. Following the key insight that the number of operations decreases quadratically with the sparsity of embeddings provided the non-zero entries are distributed uniformly across dimensions, we propose a novel approach to learn such distributed sparse embeddings via the use of a carefully constructed regularization function that directly minimizes a continuous relaxation of the number of floating-point operations (FLOPs) incurred during retrieval. Our experiments show that our approach is competitive to the other baselines and yields a similar or better speed-vs-accuracy tradeoff on practical datasets.

Scaling language models to long contexts is often bottlenecked by the size of the key-value (KV) cache. In deployed settings, long contexts are typically managed through compaction in token space via summarization. However, summarization can be highly lossy, substantially harming downstream performance. Recent work on Cartridges has shown that it is possible to train highly compact KV caches in latent space that closely match full-context performance, but at the cost of slow and expensive end-to-end optimization. This work describes an approach for fast context compaction in latent space through Attention Matching, which constructs compact keys and values to reproduce attention outputs and preserve attention mass at a per-KV-head level. We show that this formulation naturally decomposes into simple subproblems, some of which admit efficient closed-form solutions. Within this framework, we develop a family of methods that significantly push the Pareto frontier of compaction time versus quality, achieving up to 50x compaction in seconds on some datasets with little quality loss.

While transformer models are widely believed to operate in high-dimensional hidden spaces, we show that attention outputs are confined to a surprisingly low-dimensional subspace, where about 60\% of the directions account for 99\% of the variance--a phenomenon that is induced by the attention output projection matrix and consistently observed across diverse model families and datasets. Critically, we find this low-rank structure as a fundamental cause of the prevalent dead feature problem in sparse dictionary learning, where it creates a mismatch between randomly initialized features and the intrinsic geometry of the activation space. Building on this insight, we propose a subspace-constrained training method for sparse autoencoders (SAEs), initializing feature directions into the active subspace of activations. Our approach reduces dead features from 87\% to below 1\% in Attention Output SAEs with 1M features, and can further extend to other sparse dictionary learning methods. Our findings provide both new insights into the geometry of attention and practical tools for improving sparse dictionary learning in large language models.

Long-context inference is increasingly constrained by the KV cache: resident memory grows with context length, and decoding becomes limited by repeated High Bandwidth Memory (HBM) streaming rather than arithmetic. Existing methods such as eviction, windowing, quantization, and offloading reduce footprint, but often leave the critical-path bottleneck only partially addressed, especially when compressed states must still be reconstructed into dense vectors during decoding. We present Spherical KV, a long-context inference method that treats KV allocation as a rate-distortion problem grounded in attention geometry for efficient decoding. The method is built on two ideas: (i) represent directional information cheaply in the decode hot loop, and (ii) allocate retention and precision according to estimated future utility. Its first component, Angle-Domain Attention (ADA), stores keys in a spherical parameterization consisting of a scalar radius and compact angle codes, and computes attention logits directly from these codes without reconstructing dense keys. This preserves a paged, block-local, fusion-friendly decode path and directly targets HBM traffic in realistic serving settings. Its second component, Rate-Distortion Retention (RDR), jointly chooses keep/drop decisions and precision tiers per token and head under a fixed budget, producing tier-homogeneous pages with lightweight metadata and coalesced reads. Together, ADA and RDR provide a deployment-oriented mechanism for reducing KV residency while preserving decode efficiency.

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.

Large Language Models (LLMs) have demonstrated remarkable capabilities across various applications, but their performance on long-context tasks is often limited by the computational complexity of attention mechanisms. We introduce a novel approach to accelerate attention computation in LLMs, particularly for long-context scenarios. We leverage the inherent sparsity within attention mechanisms, both in conventional Softmax attention and ReLU attention (with ReLU^α activation, αin N_+), to significantly reduce the running time complexity. Our method employs a Half-Space Reporting (HSR) data structure to identify non-zero or ``massively activated'' entries in the attention matrix. We present theoretical analyses for two key scenarios: generation decoding and prompt prefilling. Our approach achieves a running time of O(mn^{4/5}) significantly faster than the naive approach O(mn) for generation decoding, where n is the context length, m is the query length, and d is the hidden dimension. We can also reduce the running time for prompt prefilling from O(mn) to O(mn^{1 - 1 / lfloor d/2rfloor} + mn^{4/5}). Our method introduces only provably negligible error for Softmax attention. This work represents a significant step towards enabling efficient long-context processing in LLMs.

Indexes are models: a B-Tree-Index can be seen as a model to map a key to the position of a record within a sorted array, a Hash-Index as a model to map a key to a position of a record within an unsorted array, and a BitMap-Index as a model to indicate if a data record exists or not. In this exploratory research paper, we start from this premise and posit that all existing index structures can be replaced with other types of models, including deep-learning models, which we term learned indexes. The key idea is that a model can learn the sort order or structure of lookup keys and use this signal to effectively predict the position or existence of records. We theoretically analyze under which conditions learned indexes outperform traditional index structures and describe the main challenges in designing learned index structures. Our initial results show, that by using neural nets we are able to outperform cache-optimized B-Trees by up to 70% in speed while saving an order-of-magnitude in memory over several real-world data sets. More importantly though, we believe that the idea of replacing core components of a data management system through learned models has far reaching implications for future systems designs and that this work just provides a glimpse of what might be possible.

Key-Value (KV) Caching has become an essential technique for accelerating the inference speed and throughput of generative Large Language Models~(LLMs). However, the memory footprint of the KV cache poses a critical bottleneck in LLM deployment as the cache size grows with batch size and sequence length, often surpassing even the size of the model itself. Although recent methods were proposed to select and evict unimportant KV pairs from the cache to reduce memory consumption, the potential ramifications of eviction on the generative process are yet to be thoroughly examined. In this paper, we examine the detrimental impact of cache eviction and observe that unforeseen risks arise as the information contained in the KV pairs is exhaustively discarded, resulting in safety breaches, hallucinations, and context loss. Surprisingly, we find that preserving even a small amount of information contained in the evicted KV pairs via reduced precision quantization substantially recovers the incurred degradation. On the other hand, we observe that the important KV pairs must be kept at a relatively higher precision to safeguard the generation quality. Motivated by these observations, we propose Mixed-precision KV cache~(MiKV), a reliable cache compression method that simultaneously preserves the context details by retaining the evicted KV pairs in low-precision and ensure generation quality by keeping the important KV pairs in high-precision. Experiments on diverse benchmarks and LLM backbones show that our proposed method offers a state-of-the-art trade-off between compression ratio and performance, compared to other baselines.

We present an approximate attention mechanism named HyperAttention to address the computational challenges posed by the growing complexity of long contexts used in Large Language Models (LLMs). Recent work suggests that in the worst-case scenario, quadratic time is necessary unless the entries of the attention matrix are bounded or the matrix has low stable rank. We introduce two parameters which measure: (1) the max column norm in the normalized attention matrix, and (2) the ratio of row norms in the unnormalized attention matrix after detecting and removing large entries. We use these fine-grained parameters to capture the hardness of the problem. Despite previous lower bounds, we are able to achieve a linear time sampling algorithm even when the matrix has unbounded entries or a large stable rank, provided the above parameters are small. HyperAttention features a modular design that easily accommodates integration of other fast low-level implementations, particularly FlashAttention. Empirically, employing Locality Sensitive Hashing (LSH) to identify large entries, HyperAttention outperforms existing methods, giving significant speed improvements compared to state-of-the-art solutions like FlashAttention. We validate the empirical performance of HyperAttention on a variety of different long-context length datasets. For example, HyperAttention makes the inference time of ChatGLM2 50\% faster on 32k context length while perplexity increases from 5.6 to 6.3. On larger context length, e.g., 131k, with causal masking, HyperAttention offers 5-fold speedup on a single attention layer.

Inference on large language models can be expensive in terms of the compute and memory costs involved, especially when long sequence lengths are used. In particular, the self-attention mechanism used in such models contributes significantly to these costs, which has resulted in several recent works that propose sparse attention approximations for inference. In this work, we propose to approximate the self-attention computation by focusing on the dimensionality of key vectors computed in the attention block. Our analysis reveals that the key vectors lie in a significantly lower-dimensional space, consistently across several datasets and models. Exploiting this observation, we propose Loki, a novel sparse attention method that ranks and selects tokens in the KV-cache based on attention scores computed in low-dimensional space. Our evaluations show that Loki is able to maintain the efficacy of the models better than other popular approximation methods, while speeding up the attention computation due to reduced data movement (load/store) and compute costs.

In pursuit of faster computation, Efficient Transformers demonstrate an impressive variety of approaches -- models attaining sub-quadratic attention complexity can utilize a notion of sparsity or a low-rank approximation of inputs to reduce the number of attended keys; other ways to reduce complexity include locality-sensitive hashing, key pooling, additional memory to store information in compacted or hybridization with other architectures, such as CNN. Often based on a strong mathematical basis, kernelized approaches allow for the approximation of attention with linear complexity while retaining high accuracy. Therefore, in the present paper, we aim to expand the idea of trainable kernel methods to approximate the self-attention mechanism of the Transformer architecture.

Large Language Models (LLMs) have been widely adopted to process long-context tasks. However, the large memory overhead of the key-value (KV) cache poses significant challenges in long-context scenarios. Existing training-free KV cache compression methods typically focus on quantization and token pruning, which have compression limits, and excessive sparsity can lead to severe performance degradation. Other methods design new architectures with less KV overhead but require significant training overhead. To address the above two drawbacks, we further explore the redundancy in the channel dimension and apply an architecture-level design with minor training costs. Therefore, we introduce CSKV, a training-efficient Channel Shrinking technique for KV cache compression: (1) We first analyze the singular value distribution of the KV cache, revealing significant redundancy and compression potential along the channel dimension. Based on this observation, we propose using low-rank decomposition for key and value layers and storing the low-dimension features. (2) To preserve model performance, we introduce a bi-branch KV cache, including a window-based full-precision KV cache and a low-precision compressed KV cache. (3) To reduce the training costs, we minimize the layer-wise reconstruction loss for the compressed KV cache instead of retraining the entire LLMs. Extensive experiments show that CSKV can reduce the memory overhead of the KV cache by 80% while maintaining the model's long-context capability. Moreover, we show that our method can be seamlessly combined with quantization to further reduce the memory overhead, achieving a compression ratio of up to 95%.

We study the memorization power of feedforward ReLU neural networks. We show that such networks can memorize any N points that satisfy a mild separability assumption using Oleft(Nright) parameters. Known VC-dimension upper bounds imply that memorizing N samples requires Omega(N) parameters, and hence our construction is optimal up to logarithmic factors. We also give a generalized construction for networks with depth bounded by 1 leq L leq N, for memorizing N samples using O(N/L) parameters. This bound is also optimal up to logarithmic factors. Our construction uses weights with large bit complexity. We prove that having such a large bit complexity is both necessary and sufficient for memorization with a sub-linear number of parameters.

Prompt-based text embedding models, which generate task-specific embeddings upon receiving tailored prompts, have recently demonstrated remarkable performance. However, their resulting embeddings often have thousands of dimensions, leading to high storage costs and increased computational costs of embedding-based operations. In this paper, we investigate how post-hoc dimensionality reduction applied to the embeddings affects the performance of various tasks that leverage these embeddings, specifically classification, clustering, retrieval, and semantic textual similarity (STS) tasks. Our experiments show that even a naive dimensionality reduction, which keeps only the first 25% of the dimensions of the embeddings, results in a very slight performance degradation, indicating that these embeddings are highly redundant. Notably, for classification and clustering, even when embeddings are reduced to less than 0.5% of the original dimensionality the performance degradation is very small. To quantitatively analyze this redundancy, we perform an analysis based on the intrinsic dimensionality and isotropy of the embeddings. Our analysis reveals that embeddings for classification and clustering, which are considered to have very high dimensional redundancy, exhibit lower intrinsic dimensionality and less isotropy compared with those for retrieval and STS.

Large language models are increasingly applied to multi-document and long-form inputs, yet long-context inference remains memory- and noise-inefficient. Key-value (KV) caching scales linearly with context length, while external retrieval methods often return lexically similar but causally irrelevant passages. We present S3-Attention, a memory-first inference-time framework that treats long-context processing as attention-aligned endogenous retrieval. S3-Attention decodes transient key and query projections into top-k sparse feature identifiers using lightweight sparse autoencoders, and constructs a CPU-based inverted index mapping features to token positions or spans during a single streaming scan. This design allows the KV cache to be discarded entirely and bounds GPU memory usage by the scan chunk size. At generation time, feature co-activation is used to retrieve compact evidence spans, optionally fused with BM25 for exact lexical matching. Under a unified LongBench evaluation protocol with fixed prompting, decoding, and matched token budgets, S3-Hybrid closely matches full-context inference across multiple model families and improves robustness in several information-dense settings. We also report an engineering limitation of the current prototype, which incurs higher wall-clock latency than optimized full-KV baselines, motivating future kernel-level optimization.

Mechanistic Interpretability (MI) promises a path toward fully understanding how neural networks make their predictions. Prior work demonstrates that even when trained to perform simple arithmetic, models can implement a variety of algorithms (sometimes concurrently) depending on initialization and hyperparameters. Does this mean neuron-level interpretability techniques have limited applicability? We argue that high-dimensional neural networks can learn low-dimensional representations of their training data that are useful beyond simply making good predictions. Such representations can be understood through the mechanistic interpretability lens and provide insights that are surprisingly faithful to human-derived domain knowledge. This indicates that such approaches to interpretability can be useful for deriving a new understanding of a problem from models trained to solve it. As a case study, we extract nuclear physics concepts by studying models trained to reproduce nuclear data.

Real-world data is high-dimensional: a book, image, or musical performance can easily contain hundreds of thousands of elements even after compression. However, the most commonly used autoregressive models, Transformers, are prohibitively expensive to scale to the number of inputs and layers needed to capture this long-range structure. We develop Perceiver AR, an autoregressive, modality-agnostic architecture which uses cross-attention to map long-range inputs to a small number of latents while also maintaining end-to-end causal masking. Perceiver AR can directly attend to over a hundred thousand tokens, enabling practical long-context density estimation without the need for hand-crafted sparsity patterns or memory mechanisms. When trained on images or music, Perceiver AR generates outputs with clear long-term coherence and structure. Our architecture also obtains state-of-the-art likelihood on long-sequence benchmarks, including 64 x 64 ImageNet images and PG-19 books.

Visual generation with discrete tokens has gained significant attention as it enables a unified token prediction paradigm shared with language models, promising seamless multimodal architectures. However, current discrete generation methods remain limited to low-dimensional latent tokens (typically 8-32 dims), sacrificing the semantic richness essential for understanding. While high-dimensional pretrained representations (768-1024 dims) could bridge this gap, their discrete generation poses fundamental challenges. In this paper, we present Cubic Discrete Diffusion (CubiD), the first discrete generation model for high-dimensional representations. CubiD performs fine-grained masking throughout the high-dimensional discrete representation -- any dimension at any position can be masked and predicted from partial observations. This enables the model to learn rich correlations both within and across spatial positions, with the number of generation steps fixed at T regardless of feature dimensionality, where T ll hwd. On ImageNet-256, CubiD achieves state-of-the-art discrete generation with strong scaling behavior from 900M to 3.7B parameters. Crucially, we validate that these discretized tokens preserve original representation capabilities, demonstrating that the same discrete tokens can effectively serve both understanding and generation tasks. We hope this work will inspire future research toward unified multimodal architectures. Code is available at: https://github.com/YuqingWang1029/CubiD.

The emergence of long-context text applications utilizing large language models (LLMs) has presented significant scalability challenges, particularly in memory footprint. The linear growth of the Key-Value (KV) cache responsible for storing attention keys and values to minimize redundant computations can lead to substantial increases in memory consumption, potentially causing models to fail to serve with limited memory resources. To address this issue, we propose a novel approach called Cache Sparse Representation (CSR), which converts the KV cache by transforming the dense Key-Value cache tensor into sparse indexes and weights, offering a more memory-efficient representation during LLM inference. Furthermore, we introduce NeuralDict, a novel neural network-based method for automatically generating the dictionary used in our sparse representation. Our extensive experiments demonstrate that CSR achieves performance comparable to state-of-the-art KV cache quantization algorithms while maintaining robust functionality in memory-constrained environments.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

Behavioral patterns captured in embeddings learned from interaction data are pivotal across various stages of production recommender systems. However, in the initial retrieval stage, practitioners face an inherent tradeoff between embedding expressiveness and the scalability and latency of serving components, resulting in the need for representations that are both compact and expressive. To address this challenge, we propose a training strategy for learning high-dimensional sparse embedding layers in place of conventional dense ones, balancing efficiency, representational expressiveness, and interpretability. To demonstrate our approach, we modified the production-grade collaborative filtering autoencoder ELSA, achieving up to 10x reduction in embedding size with no loss of recommendation accuracy, and up to 100x reduction with only a 2.5% loss. Moreover, the active embedding dimensions reveal an interpretable inverted-index structure that segments items in a way directly aligned with the model's latent space, thereby enabling integration of segment-level recommendation functionality (e.g., 2D homepage layouts) within the candidate retrieval model itself. Source codes, additional results, as well as a live demo are available at https://github.com/zombak79/compressed_elsa

Neural multivariate regression underpins a wide range of domains such as control, robotics, and finance, yet the geometry of its learned representations remains poorly characterized. While neural collapse has been shown to benefit generalization in classification, we find that analogous collapse in regression consistently degrades performance. To explain this contrast, we analyze models through the lens of intrinsic dimension. Across control tasks and synthetic datasets, we estimate the intrinsic dimension of last-layer features (ID_H) and compare it with that of the regression targets (ID_Y). Collapsed models exhibit ID_H < ID_Y, leading to over-compression and poor generalization, whereas non-collapsed models typically maintain ID_H > ID_Y. For the non-collapsed models, performance with respect to ID_H depends on the data quantity and noise levels. From these observations, we identify two regimes (over-compressed and under-compressed) that determine when expanding or reducing feature dimensionality improves performance. Our results provide new geometric insights into neural regression and suggest practical strategies for enhancing generalization.

Recent works have demonstrated reasonable success of representation learning in hypercomplex space. Specifically, "fully-connected layers with Quaternions" (4D hypercomplex numbers), which replace real-valued matrix multiplications in fully-connected layers with Hamilton products of Quaternions, both enjoy parameter savings with only 1/4 learnable parameters and achieve comparable performance in various applications. However, one key caveat is that hypercomplex space only exists at very few predefined dimensions (4D, 8D, and 16D). This restricts the flexibility of models that leverage hypercomplex multiplications. To this end, we propose parameterizing hypercomplex multiplications, allowing models to learn multiplication rules from data regardless of whether such rules are predefined. As a result, our method not only subsumes the Hamilton product, but also learns to operate on any arbitrary nD hypercomplex space, providing more architectural flexibility using arbitrarily 1/n learnable parameters compared with the fully-connected layer counterpart. Experiments of applications to the LSTM and Transformer models on natural language inference, machine translation, text style transfer, and subject verb agreement demonstrate architectural flexibility and effectiveness of the proposed approach.

Transformer models encounter challenges in scaling hidden dimensions efficiently, as uniformly increasing them inflates computational and memory costs while failing to emphasize the most relevant features for each token. For further understanding, we study hidden dimension sparsity and observe that trained Transformers utilize only a small fraction of token dimensions, revealing an "activation flow" pattern. Notably, there are shared sub-dimensions with sustained activation across multiple consecutive tokens and specialized sub-dimensions uniquely activated for each token. To better model token-relevant sub-dimensions, we propose MoHD (Mixture of Hidden Dimensions), a sparse conditional activation architecture. Particularly, MoHD employs shared sub-dimensions for common token features and a routing mechanism to dynamically activate specialized sub-dimensions. To mitigate potential information loss from sparsity, we design activation scaling and group fusion mechanisms to preserve activation flow. In this way, MoHD expands hidden dimensions with negligible increases in computation or parameters, efficient training and inference while maintaining performance. Evaluations across 10 NLP tasks show that MoHD surpasses Vanilla Transformers in parameter efficiency and task performance. It achieves 1.7% higher performance with 50% fewer activation parameters and 3.7% higher performance with a 3x parameter expansion at constant activation cost. MOHD offers a new perspective for scaling the model, showcasing the potential of hidden dimension sparsity to boost efficiency

We investigate the geometric structure of learning dynamics in overparameterized transformer models through carefully controlled modular arithmetic tasks. Our primary finding is that despite operating in high-dimensional parameter spaces (d=128), transformer training trajectories rapidly collapse onto low-dimensional execution manifolds of dimension 3--4. This dimensional collapse is robust across random seeds and moderate task difficulties, though the orientation of the manifold in parameter space varies between runs. We demonstrate that this geometric structure underlies several empirically observed phenomena: (1) sharp attention concentration emerges as saturation along routing coordinates within the execution manifold, (2) SGD commutators are preferentially aligned with the execution subspace (up to 10times random baseline) early in training, with >92% of non-commutativity confined to orthogonal staging directions and this alignment decreasing as training converges, and (3) sparse autoencoders capture auxiliary routing structure but fail to isolate execution itself, which remains distributed across the low-dimensional manifold. Our results suggest a unifying geometric framework for understanding transformer learning, where the vast majority of parameters serve to absorb optimization interference while core computation occurs in a dramatically reduced subspace. These findings have implications for interpretability, training curriculum design, and understanding the role of overparameterization in neural network learning.

Serving transformer language models with high throughput requires caching Key-Values (KVs) to avoid redundant computation during autoregressive generation. The memory footprint of KV caching is significant and heavily impacts serving costs. This work proposes to lessen these memory requirements. While recent work has largely addressed KV cache reduction via compression and eviction along the temporal axis, we argue that the depth dimension offers an orthogonal and robust avenue for optimization. Although prior research suggests that a full cache for every layer is redundant, implementing cross-layer cache sharing remains a practical challenge; existing methods typically suffer from reduced throughput or increased time-to-first-token. In this paper, we demonstrate that dropping a layer's cache offers efficient optimization without information loss. We propose a simple training approach: random cross-layer attention. During training, layers randomly choose to attend either to their own KV states or those of a preceding layer. This stochastic process adapts the model to be robust to various depth-wise cache sharing strategies, ensuring flexibility for unknown hardware constraints at deployment time. Our evaluations show that applying this scheme during pre-training or fine-tuning enables depth-wise cache sharing for various model families. Furthermore, for larger models in data-constrained settings, this approach is suggestive of a regularization-like effect, frequently preserving or improving performance while significantly reducing the cache's memory footprint.

Predicting high-dimensional or extreme multilabels, such as in medical coding, requires both accuracy and interpretability. Existing works often rely on local interpretability methods, failing to provide comprehensive explanations of the overall mechanism behind each label prediction within a multilabel set. We propose a mechanistic interpretability module called DIctionary Label Attention (\method) that disentangles uninterpretable dense embeddings into a sparse embedding space, where each nonzero element (a dictionary feature) represents a globally learned medical concept. Through human evaluations, we show that our sparse embeddings are more human understandable than its dense counterparts by at least 50 percent. Our automated dictionary feature identification pipeline, leveraging large language models (LLMs), uncovers thousands of learned medical concepts by examining and summarizing the highest activating tokens for each dictionary feature. We represent the relationships between dictionary features and medical codes through a sparse interpretable matrix, enhancing the mechanistic and global understanding of the model's predictions while maintaining competitive performance and scalability without extensive human annotation.

Latent factor models are the driving forces of the state-of-the-art recommender systems, with an important insight of vectorizing raw input features into dense embeddings. The dimensions of different feature embeddings are often set to a same value empirically, which limits the predictive performance of latent factor models. Existing works have proposed heuristic or reinforcement learning-based methods to search for mixed feature embedding dimensions. For efficiency concern, these methods typically choose embedding dimensions from a restricted set of candidate dimensions. However, this restriction will hurt the flexibility of dimension selection, leading to suboptimal performance of search results. In this paper, we propose Differentiable Neural Input Search (DNIS), a method that searches for mixed feature embedding dimensions in a more flexible space through continuous relaxation and differentiable optimization. The key idea is to introduce a soft selection layer that controls the significance of each embedding dimension, and optimize this layer according to model's validation performance. DNIS is model-agnostic and thus can be seamlessly incorporated with existing latent factor models for recommendation. We conduct experiments with various architectures of latent factor models on three public real-world datasets for rating prediction, Click-Through-Rate (CTR) prediction, and top-k item recommendation. The results demonstrate that our method achieves the best predictive performance compared with existing neural input search approaches with fewer embedding parameters and less time cost.

The standard basis of transformer hidden states is a training-free, architecture-general feature basis for detecting concepts and, in language models, steering them; with no learned dictionary. Individual dimensions act as binary registers read one at a time: their signs (+/-1) encode content, their magnitudes strength. A feature is just a subset of dimensions with a consistent sign pattern, read by counting sign agreements. We validate this Bag of Dims (BoD) framework across seven models spanning language, vision, and audio; reading dimensions one at a time loses nothing, as a full-capacity MLP adds zero AUC over per-dim reading. The same per-dimension signs appear in every modality, so they reflect transformer training itself, not the language objective. Sign alone carries predictive content: setting all magnitudes to unity preserves 60-93% top-5 next-token accuracy through the LM head. From a single-token cache (one forward pass per token, no labels) we detect 175 categories at AUC 0.97-0.99 by counting sign agreements, and from random seeds alone discovery scales to 1500 features per model. A trained probe adds only +0.018 AUC and converges to axis-aligned weights: the rotation dictionaries learn buys little. Signs are causally operative: they survive the attention projections, and flipping a concept's sign pattern in the live forward pass suppresses it. Reading and steering are separate roles in the same basis: a concept's reader dimensions are not its writer dimensions. The writer target is just as cheap, the sign of the summed unembedding rows over a few seeds, no training. Injected through the attention output pathway under closed-loop control, it steers concepts into fluent text on four language models (62-92% of twelve concepts). The signs were in the standard basis all along; the open problem is no longer finding the right rotation but cataloging what each dimension encodes.

Dimensionality reduction is a fundamental task that aims to simplify complex data by reducing its feature dimensionality while preserving essential patterns, with core applications in data analysis and visualisation. To preserve the underlying data structure, multi-dimensional scaling (MDS) methods focus on preserving pairwise dissimilarities, such as distances. They optimise the embedding to have pairwise distances as close as possible to the data dissimilarities. However, the current standard is limited to embedding data in Riemannian manifolds. Motivated by the lack of asymmetry in the Riemannian metric of the embedding space, this paper extends the MDS problem to a natural asymmetric generalisation of Riemannian manifolds called Finsler manifolds. Inspired by Euclidean space, we define a canonical Finsler space for embedding asymmetric data. Due to its simplicity with respect to geodesics, data representation in this space is both intuitive and simple to analyse. We demonstrate that our generalisation benefits from the same theoretical convergence guarantees. We reveal the effectiveness of our Finsler embedding across various types of non-symmetric data, highlighting its value in applications such as data visualisation, dimensionality reduction, directed graph embedding, and link prediction.

Learning high-quality feature embeddings efficiently and effectively is critical for the performance of web-scale machine learning systems. A typical model ingests hundreds of features with vocabularies on the order of millions to billions of tokens. The standard approach is to represent each feature value as a d-dimensional embedding, introducing hundreds of billions of parameters for extremely high-cardinality features. This bottleneck has led to substantial progress in alternative embedding algorithms. Many of these methods, however, make the assumption that each feature uses an independent embedding table. This work introduces a simple yet highly effective framework, Feature Multiplexing, where one single representation space is used across many different categorical features. Our theoretical and empirical analysis reveals that multiplexed embeddings can be decomposed into components from each constituent feature, allowing models to distinguish between features. We show that multiplexed representations lead to Pareto-optimal parameter-accuracy tradeoffs for three public benchmark datasets. Further, we propose a highly practical approach called Unified Embedding with three major benefits: simplified feature configuration, strong adaptation to dynamic data distributions, and compatibility with modern hardware. Unified embedding gives significant improvements in offline and online metrics compared to highly competitive baselines across five web-scale search, ads, and recommender systems, where it serves billions of users across the world in industry-leading products.

Despite their widespread success, the application of deep neural networks to functional data remains scarce today. The infinite dimensionality of functional data means standard learning algorithms can be applied only after appropriate dimension reduction, typically achieved via basis expansions. Currently, these bases are chosen a priori without the information for the task at hand and thus may not be effective for the designated task. We instead propose to adaptively learn these bases in an end-to-end fashion. We introduce neural networks that employ a new Basis Layer whose hidden units are each basis functions themselves implemented as a micro neural network. Our architecture learns to apply parsimonious dimension reduction to functional inputs that focuses only on information relevant to the target rather than irrelevant variation in the input function. Across numerous classification/regression tasks with functional data, our method empirically outperforms other types of neural networks, and we prove that our approach is statistically consistent with low generalization error. Code is available at: https://github.com/jwyyy/AdaFNN.

A vector database is used to store high-dimensional data that cannot be characterized by traditional DBMS. Although there are not many articles describing existing or introducing new vector database architectures, the approximate nearest neighbor search problem behind vector databases has been studied for a long time, and considerable related algorithmic articles can be found in the literature. This article attempts to comprehensively review relevant algorithms to provide a general understanding of this booming research area. The basis of our framework categorises these studies by the approach of solving ANNS problem, respectively hash-based, tree-based, graph-based and quantization-based approaches. Then we present an overview of existing challenges for vector databases. Lastly, we sketch how vector databases can be combined with large language models and provide new possibilities.

Representations from large language models (LLMs) are known to be dominated by a small subset of dimensions with exceedingly high variance. Previous works have argued that although ablating these outlier dimensions in LLM representations hurts downstream performance, outlier dimensions are detrimental to the representational quality of embeddings. In this study, we investigate how fine-tuning impacts outlier dimensions and show that 1) outlier dimensions that occur in pre-training persist in fine-tuned models and 2) a single outlier dimension can complete downstream tasks with a minimal error rate. Our results suggest that outlier dimensions can encode crucial task-specific knowledge and that the value of a representation in a single outlier dimension drives downstream model decisions.

Retrieval-Augmented Generation enhances language models by retrieving relevant information from external knowledge bases, relying on high-dimensional vector embeddings typically stored in float32 precision. However, storing these embeddings at scale presents significant memory challenges. To address this issue, we systematically investigate on MTEB benchmark two complementary optimization strategies: quantization, evaluating standard formats (float16, int8, binary) and low-bit floating-point types (float8), and dimensionality reduction, assessing methods like PCA, Kernel PCA, UMAP, Random Projections and Autoencoders. Our results show that float8 quantization achieves a 4x storage reduction with minimal performance degradation (<0.3%), significantly outperforming int8 quantization at the same compression level, being simpler to implement. PCA emerges as the most effective dimensionality reduction technique. Crucially, combining moderate PCA (e.g., retaining 50% dimensions) with float8 quantization offers an excellent trade-off, achieving 8x total compression with less performance impact than using int8 alone (which provides only 4x compression). To facilitate practical application, we propose a methodology based on visualizing the performance-storage trade-off space to identify the optimal configuration that maximizes performance within their specific memory constraints.

Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data, often by enforcing invariance to input transformations such as rotations or blurring. Recent studies have highlighted two pivotal properties for effective representations: (i) avoiding dimensional collapse-where the learned features occupy only a low-dimensional subspace, and (ii) enhancing uniformity of the induced distribution. In this work, we introduce T-REGS, a simple regularization framework for SSL based on the length of the Minimum Spanning Tree (MST) over the learned representation. We provide theoretical analysis demonstrating that T-REGS simultaneously mitigates dimensional collapse and promotes distribution uniformity on arbitrary compact Riemannian manifolds. Several experiments on synthetic data and on classical SSL benchmarks validate the effectiveness of our approach at enhancing representation quality.

Energy-efficient medical data classification is essential for modern disease screening, particularly in home and field healthcare where embedded devices are prevalent. While deep learning models achieve state-of-the-art accuracy, their substantial energy consumption and reliance on GPUs limit deployment on such platforms. We present Hyperdimensional Computing with Class-Wise Clustering (HD3C), a lightweight classification framework designed for low-power environments. HD3C encodes data into high-dimensional hypervectors, aggregates them into multiple cluster-specific prototypes, and performs classification through similarity search in hyperspace. We evaluate HD3C across three medical classification tasks; on heart sound classification, HD3C is 350times more energy-efficient than Bayesian ResNet with less than 1% accuracy difference. Moreover, HD3C demonstrates exceptional robustness to noise, limited training data, and hardware error, supported by both theoretical analysis and empirical results, highlighting its potential for reliable deployment in real-world settings. Code is available at https://github.com/jianglanwei/HD3C.

KV cache has become a de facto technique for the inference of large language models (LLMs), where tensors of shape (layer number, head number, sequence length, feature dimension) are introduced to cache historical information for self-attention. As the size of the model and data grows, the KV cache can quickly become a bottleneck within the system in both storage and memory transfer. To address this, prior studies usually focus on the first three axes of the cache tensors for compression. This paper supplements them, focusing on the feature dimension axis, by utilizing low-rank projection matrices to transform the cache features into spaces with reduced dimensions. We begin by investigating the canonical orthogonal projection method for data compression through principal component analysis (PCA). We observe the issue with PCA projection where significant performance degradation is observed at low compression rates. To bridge the gap, we propose to directly tune the orthogonal projection matrices with a distillation objective using an elaborate Matryoshka training strategy. After training, we adaptively search for the optimal compression rates for various layers and heads given varying compression budgets. Compared to previous works, our method can easily embrace pre-trained LLMs and hold a smooth tradeoff between performance and compression rate. We empirically witness the high data efficiency of our training procedure and find that our method can sustain over 90% performance with an average KV cache compression rate of 60% (and up to 75% in certain extreme scenarios) for popular LLMs like LLaMA2-7B-base and Mistral-7B-v0.3-base.

Many computational factors limit broader deployment of large language models. In this paper, we focus on a memory bottleneck imposed by the key-value (KV) cache, a computational shortcut that requires storing previous KV pairs during decoding. While existing KV cache methods approach this problem by pruning or evicting large swaths of relatively less important KV pairs to dramatically reduce the memory footprint of the cache, they can have limited success in tasks that require recollecting a majority of previous tokens. To alleviate this issue, we propose LESS, a simple integration of a (nearly free) constant sized cache with eviction-based cache methods, such that all tokens can be queried at later decoding steps. Its ability to retain information throughout time shows merit on a variety of tasks where we demonstrate LESS can help reduce the performance gap from caching everything, sometimes even matching it, all while being efficient.

While Large Language Models (LLMs) become ever more dominant, classic pre-trained word embeddings sustain their relevance through computational efficiency and nuanced linguistic interpretation. Drawing from recent studies demonstrating that the convergence of GloVe and word2vec optimizations all tend towards log-co-occurrence matrix variants, we construct a novel word representation system called Bit-cipher that eliminates the need of backpropagation while leveraging contextual information and hyper-efficient dimensionality reduction techniques based on unigram frequency, providing strong interpretability, alongside efficiency. We use the bit-cipher algorithm to train word vectors via a two-step process that critically relies on a hyperparameter -- bits -- that controls the vector dimension. While the first step trains the bit-cipher, the second utilizes it under two different aggregation modes -- summation or concatenation -- to produce contextually rich representations from word co-occurrences. We extend our investigation into bit-cipher's efficacy, performing probing experiments on part-of-speech (POS) tagging and named entity recognition (NER) to assess its competitiveness with classic embeddings like word2vec and GloVe. Additionally, we explore its applicability in LM training and fine-tuning. By replacing embedding layers with cipher embeddings, our experiments illustrate the notable efficiency of cipher in accelerating the training process and attaining better optima compared to conventional training paradigms. Experiments on the integration of bit-cipher embedding layers with Roberta, T5, and OPT, prior to or as a substitute for fine-tuning, showcase a promising enhancement to transfer learning, allowing rapid model convergence while preserving competitive performance.

Recent works on learned index open a new direction for the indexing field. The key insight of the learned index is to approximate the mapping between keys and positions with piece-wise linear functions. Such methods require partitioning key space for a better approximation. Although lots of heuristics are proposed to improve the approximation quality, the bottleneck is that the segmentation overheads could hinder the overall performance. This paper tackles the approximation problem by applying a distribution transformation to the keys before constructing the learned index. A two-stage Normalizing-Flow-based Learned index framework (NFL) is proposed, which first transforms the original complex key distribution into a near-uniform distribution, then builds a learned index leveraging the transformed keys. For effective distribution transformation, we propose a Numerical Normalizing Flow (Numerical NF). Based on the characteristics of the transformed keys, we propose a robust After-Flow Learned Index (AFLI). To validate the performance, comprehensive evaluations are conducted on both synthetic and real-world workloads, which shows that the proposed NFL produces the highest throughput and the lowest tail latency compared to the state-of-the-art learned indexes.

Dense retrieval overcome the lexical gap and has shown great success in ad-hoc information retrieval (IR). Despite their success, dense retrievers are expensive to serve across practical use cases. For use cases requiring to search from millions of documents, the dense index becomes bulky and requires high memory usage for storing the index. More recently, learning-to-hash (LTH) techniques, for e.g., BPR and JPQ, produce binary document vectors, thereby reducing the memory requirement to efficiently store the dense index. LTH techniques are supervised and finetune the retriever using a ranking loss. They outperform their counterparts, i.e., traditional out-of-the-box vector compression techniques such as PCA or PQ. A missing piece from prior work is that existing techniques have been evaluated only in-domain, i.e., on a single dataset such as MS MARCO. In our work, we evaluate LTH and vector compression techniques for improving the downstream zero-shot retrieval accuracy of the TAS-B dense retriever while maintaining efficiency at inference. Our results demonstrate that, unlike prior work, LTH strategies when applied naively can underperform the zero-shot TAS-B dense retriever on average by up to 14% nDCG@10 on the BEIR benchmark. To solve this limitation, in our work, we propose an easy yet effective solution of injecting domain adaptation with existing supervised LTH techniques. We experiment with two well-known unsupervised domain adaptation techniques: GenQ and GPL. Our domain adaptation injection technique can improve the downstream zero-shot retrieval effectiveness for both BPR and JPQ variants of the TAS-B model by on average 11.5% and 8.2% nDCG@10 while both maintaining 32times memory efficiency and 14times and 2times speedup respectively in CPU retrieval latency on BEIR. All our code, models, and data are publicly available at https://github.com/thakur-nandan/income.

The key-value (KV) cache dominates memory bandwidth and footprint in long-context autoregressive inference. Recent rotation-preconditioned codecs (TurboQuant, PolarQuant) show that a structured random rotation followed by a per-coordinate scalar quantizer matched to an analytically tractable marginal is a near-optimal recipe for KV compression. OCTOPUS advances this paradigm through joint quantization of rotated coordinate triplets. Each triplet's direction is mapped to a square via an octahedral parameterization, and the two resulting coordinates and the triplet norm are Lloyd-Max quantized against implementation-matched marginals. Optimizing the per-triplet squared error gives a strictly non-uniform bit allocation depending only on the total dimensionality of the keys. We find the finite-dimensional quality optimum with sweeps to be constant on every real decoder we test. The codec is data-oblivious, online, and deterministic given a seed. Across text, video, and audio, OCTOPUS matches or beats every prior rotation codec at every reported bit width and metric, with a lead that grows as bits drop for extreme compression. Furthermore, a fused Triton implementation reconstructs keys on the fly without materializing the uncompressed key, so the codec adds no decode-time bandwidth or latency over the existing dequantization. Project Page: https://octopus-quant.github.io/

The quadratic computational complexity of the standard attention mechanism constitutes a fundamental bottleneck for large language models in long-context inference. While existing KV cache compression methods alleviate memory pressure, they often sacrifice generation quality and fail to address the high overhead of floating-point arithmetic. This paper introduces DASH-KV, an innovative acceleration framework that reformulates attention as approximate nearest-neighbor search via asymmetric deep hashing. Under this paradigm, we design an asymmetric encoding architecture that differentially maps queries and keys to account for their distinctions in precision and reuse characteristics. To balance efficiency and accuracy, we further introduce a dynamic mixed-precision mechanism that adaptively retains full-precision computation for critical tokens. Extensive experiments on LongBench demonstrate that DASH-KV significantly outperforms state-of-the-art baseline methods while matching the performance of full attention, all while reducing inference complexity from O(N^2) to linear O(N). The code is available at https://github.com/Zhihan-Zh/DASH-KV

In this paper we suggest analytical methods and associated algorithms for determining the sum of the subsets X_m of the set X_n (subset sum problem). Our algorithm has time complexity T=O(C_{n}^{k}) (k=[m/2], which significantly improves upon all known algorithms. This algorithm is applicable to all NP-complete problems. Moreover, the algorithm has memory complexity M=O(C_n^k), which makes our algorithm applicable to real-world problems. At first, we show how to use the algorithm for small dimensions m=4 ,5 ,6 ,7 ,8. After that we establish a general methodology for m>8. The main idea is to split the original set X_n (the algorithm becomes even faster with sorted sets) into smaller subsets and use parallel computing. This approach might be a significant breakthrough towards finding an efficient solution to NP-complete problems. As a result, it opens a way to prove the P versus NP problem (one of the seven Millennium Prize Problems).

The exponential growth of scientific literature has made it increasingly difficult for researchers to keep up with the literature. In an attempt to alleviate this problem, we propose CASPER, a sparse retrieval model for scientific search that utilizes tokens and keyphrases as representation units (i.e. dimensions in the sparse embedding space), enabling it to represent queries and documents with research concepts and match them at both granular and conceptual levels. To overcome the lack of suitable training data, we propose mining training data by leveraging scholarly references (i.e. signals that capture how research concepts of papers are expressed in different settings), including titles, citation contexts, author-assigned keyphrases, and co-citations. CASPER outperforms strong dense and sparse retrieval baselines on eight scientific retrieval benchmarks. Moreover, we demonstrate that through simple post-processing, CASPER can be effectively used for the keyphrase generation tasks, achieving competitive performance with the established CopyRNN while producing more diverse keyphrases and being nearly four times faster.

Entropy and mutual information in neural networks provide rich information on the learning process, but they have proven difficult to compute reliably in high dimensions. Indeed, in noisy and high-dimensional data, traditional estimates in ambient dimensions approach a fixed entropy and are prohibitively hard to compute. To address these issues, we leverage data geometry to access the underlying manifold and reliably compute these information-theoretic measures. Specifically, we define diffusion spectral entropy (DSE) in neural representations of a dataset as well as diffusion spectral mutual information (DSMI) between different variables representing data. First, we show that they form noise-resistant measures of intrinsic dimensionality and relationship strength in high-dimensional simulated data that outperform classic Shannon entropy, nonparametric estimation, and mutual information neural estimation (MINE). We then study the evolution of representations in classification networks with supervised learning, self-supervision, or overfitting. We observe that (1) DSE of neural representations increases during training; (2) DSMI with the class label increases during generalizable learning but stays stagnant during overfitting; (3) DSMI with the input signal shows differing trends: on MNIST it increases, while on CIFAR-10 and STL-10 it decreases. Finally, we show that DSE can be used to guide better network initialization and that DSMI can be used to predict downstream classification accuracy across 962 models on ImageNet. The official implementation is available at https://github.com/ChenLiu-1996/DiffusionSpectralEntropy.

Prompting and contextual-based fine-tuning methods, which we call Prefix Learning, have been proposed to enhance the performance of language models on various downstream tasks that can match full parameter fine-tuning. There remains a limited theoretical understanding of how these methods work. In this paper, we aim to relieve this limitation by studying the learning ability of Prefix Learning from the perspective of prefix length. In particular, we approximate the infinite-long Prefix Learning optimization process by the Neural Tangent Kernel (NTK) technique. We formulate and solve it as a learning problem of the infinite-long prefix in a one-layer attention network. Our results confirm the over-parameterization property and arbitrary small loss convergence guarantee of the infinite-long Prefix Learning in attention. To the implementation end, we propose our NTK-Attention method, which is "equivalent" to attention computation with arbitrary prefix length efficiently. Its time complexity mainly depends on the sub-quadratic of input length (without prefix), and our method only requires d^2 + d extra parameters for representation, where d is the feature dimension. In addition, we conducted experiments that compare our NTK-Attention with full parameters fine-tuning, LoRA, and P-Tuning V2 methods across vision or natural language datasets. The results indicate our approach may be a promising parameter-efficient-fine-tuning method since it has demonstrated superior performance in numerous scenarios. Our code can be found at https://github.com/ChristianYang37/chiwun/tree/main/src/NTK-Attention.

Sphere packing, Hilbert's eighteenth problem, asks for the densest arrangement of congruent spheres in n-dimensional Euclidean space. Although relevant to areas such as cryptography, crystallography, and medical imaging, the problem remains unresolved: beyond a few special dimensions, neither optimal packings nor tight upper bounds are known. Even a major breakthrough in dimension n=8, later recognised with a Fields Medal, underscores its difficulty. A leading technique for upper bounds, the three-point method, reduces the problem to solving large, high-precision semidefinite programs (SDPs). Because each candidate SDP may take days to evaluate, standard data-intensive AI approaches are infeasible. We address this challenge by formulating SDP construction as a sequential decision process, the SDP game, in which a policy assembles SDP formulations from a set of admissible components. Using a sample-efficient model-based framework that combines Bayesian optimisation with Monte Carlo Tree Search, we obtain new state-of-the-art upper bounds in dimensions 4-16, showing that model-based search can advance computational progress in longstanding geometric problems. Together, these results demonstrate that sample-efficient, model-based search can make tangible progress on mathematically rigid, evaluation limited problems, pointing towards a complementary direction for AI-assisted discovery beyond large-scale LLM-driven exploration.

Large language models (LLMs) with extended context windows have become increasingly prevalent for tackling complex tasks. However, the substantial Key-Value (KV) cache required for long-context LLMs poses significant deployment challenges. Existing approaches either discard potentially critical information needed for future generations or offer limited efficiency gains due to high computational overhead. In this paper, we introduce Chelsea, a simple yet effective framework for online KV cache clustering. Our approach is based on the observation that key states exhibit high similarity along the sequence dimension. To enable efficient clustering, we divide the sequence into chunks and propose Chunked Soft Matching, which employs an alternating partition strategy within each chunk and identifies clusters based on similarity. Chelsea then merges the KV cache within each cluster into a single centroid. Additionally, we provide a theoretical analysis of the computational complexity and the optimality of the intra-chunk partitioning strategy. Extensive experiments across various models and long-context benchmarks demonstrate that Chelsea achieves up to 80% reduction in KV cache memory usage while maintaining comparable model performance. Moreover, with minimal computational overhead, Chelsea accelerates the decoding stage of inference by up to 3.19times and reduces end-to-end latency by up to 2.72times.

High-dimensional datasets require effective feature selection to improve predictive performance, interpretability, and robustness. We propose and evaluate feature selection methods for tabular datasets based on Kolmogorov-Arnold networks (KANs), which parameterize feature transformations through splines, enabling direct access to interpretable importance measures. We introduce four KAN-based selectors (KAN-L1, KAN-L2, KAN-SI, KAN-KO) and compare them against classical baselines (LASSO, Random Forest, Mutual Information, SVM-RFE) across multiple classification and regression tabular dataset benchmarks. Average (over three retention levels: 20\%, 40\%, and 60\%) F1 scores and R^2 score results reveal that KAN-based selectors, particularly KAN-L2, KAN-L1, KAN-SI, and KAN-KO, are competitive with and sometimes superior to classical baselines in structured and synthetic datasets. However, KAN-L1 is often too aggressive in regression, removing useful features, while KAN-L2 underperforms in classification, where simple coefficient shrinkage misses complex feature interactions. KAN-L2 and KAN-SI provide robust performance on noisy regression datasets and heterogeneous datasets, aligning closely with ensemble predictors. In classification tasks, KAN selectors such as KAN-L1, KAN-KO, and KAN-SI sometimes surpass the other selectors by eliminating redundancy, particularly in high-dimensional multi-class data. Overall, our findings demonstrate that KAN-based feature selection provides a powerful and interpretable alternative to traditional methods, capable of uncovering nonlinear and multivariate feature relevance beyond sparsity or impurity-based measures.

Extended reasoning in large language models (LLMs) creates severe KV cache memory bottlenecks. Leading KV cache compression methods estimate KV importance using attention scores from recent post-RoPE queries. However, queries rotate with position during RoPE, making representative queries very few, leading to poor top-key selection and unstable reasoning. To avoid this issue, we turn to the pre-RoPE space, where we observe that Q and K vectors are highly concentrated around fixed non-zero centers and remain stable across positions -- Q/K concentration. We show that this concentration causes queries to preferentially attend to keys at specific distances (e.g., nearest keys), with the centers determining which distances are preferred via a trigonometric series. Based on this, we propose TriAttention to estimate key importance by leveraging these centers. Via the trigonometric series, we use the distance preference characterized by these centers to score keys according to their positions, and also leverage Q/K norms as an additional signal for importance estimation. On AIME25 with 32K-token generation, TriAttention matches Full Attention reasoning accuracy while achieving 2.5x higher throughput or 10.7x KV memory reduction, whereas leading baselines achieve only about half the accuracy at the same efficiency. TriAttention enables OpenClaw deployment on a single consumer GPU, where long context would otherwise cause out-of-memory with Full Attention.

Dimensionality reduction methods are unsupervised approaches which learn low-dimensional spaces where some properties of the initial space, typically the notion of "neighborhood", are preserved. Such methods usually require propagation on large k-NN graphs or complicated optimization solvers. On the other hand, self-supervised learning approaches, typically used to learn representations from scratch, rely on simple and more scalable frameworks for learning. In this paper, we propose TLDR, a dimensionality reduction method for generic input spaces that is porting the recent self-supervised learning framework of Zbontar et al. (2021) to the specific task of dimensionality reduction, over arbitrary representations. We propose to use nearest neighbors to build pairs from a training set and a redundancy reduction loss to learn an encoder that produces representations invariant across such pairs. TLDR is a method that is simple, easy to train, and of broad applicability; it consists of an offline nearest neighbor computation step that can be highly approximated, and a straightforward learning process. Aiming for scalability, we focus on improving linear dimensionality reduction, and show consistent gains on image and document retrieval tasks, e.g. gaining +4% mAP over PCA on ROxford for GeM- AP, improving the performance of DINO on ImageNet or retaining it with a 10x compression.

Clustering aims to group unlabelled samples based on their similarities. It has become a significant tool for the analysis of high-dimensional data. However, most of the clustering methods merely generate pseudo labels and thus are unable to simultaneously present the similarities between different clusters and outliers. This paper proposes a new framework called High-dimensional Clustering onto Hamiltonian Cycle (HCHC) to solve the above problems. First, HCHC combines global structure with local structure in one objective function for deep clustering, improving the labels as relative probabilities, to mine the similarities between different clusters while keeping the local structure in each cluster. Then, the anchors of different clusters are sorted on the optimal Hamiltonian cycle generated by the cluster similarities and mapped on the circumference of a circle. Finally, a sample with a higher probability of a cluster will be mapped closer to the corresponding anchor. In this way, our framework allows us to appreciate three aspects visually and simultaneously - clusters (formed by samples with high probabilities), cluster similarities (represented as circular distances), and outliers (recognized as dots far away from all clusters). The experiments illustrate the superiority of HCHC.

Embedding representations power machine intelligence in many applications, including recommendation systems, but they are space intensive -- potentially occupying hundreds of gigabytes in large-scale settings. To help manage this outsized memory consumption, we explore mixed dimension embeddings, an embedding layer architecture in which a particular embedding vector's dimension scales with its query frequency. Through theoretical analysis and systematic experiments, we demonstrate that using mixed dimensions can drastically reduce the memory usage, while maintaining and even improving the ML performance. Empirically, we show that the proposed mixed dimension layers improve accuracy by 0.1% using half as many parameters or maintain it using 16X fewer parameters for click-through rate prediction task on the Criteo Kaggle dataset.

Data-driven algorithm design automates hyperparameter tuning, but its statistical foundations remain limited because model performance can depend on hyperparameters in implicit and highly non-smooth ways. Existing guarantees focus on the simple case of a one-dimensional (scalar) hyperparameter. This leaves the practically important, multi-dimensional hyperparameter tuning setting unresolved. We address this open question by establishing the first general framework for establishing generalization guarantees for tuning multi-dimensional hyperparameters in data-driven settings. Our approach strengthens the generalization guarantee framework for semi-algebraic function classes by exploiting tools from real algebraic geometry, yielding sharper, more broadly applicable guarantees. For completeness, we also instantiate the first lower bound for this general setting. We further extend the analysis to hyperparameter tuning using the validation loss under minimal assumptions, and derive improved bounds when additional structure is available. Finally, we demonstrate the scope of the framework with new learnability results, including data-driven weighted group lasso and weighted fused lasso.

The field of Automatic Machine Learning (AutoML) has recently attained impressive results, including the discovery of state-of-the-art machine learning solutions, such as neural image classifiers. This is often done by applying an evolutionary search method, which samples multiple candidate solutions from a large space and evaluates the quality of each candidate through a long training process. As a result, the search tends to be slow. In this paper, we show that large efficiency gains can be obtained by employing a fast unified functional hash, especially through the functional equivalence caching technique, which we also present. The central idea is to detect by hashing when the search method produces equivalent candidates, which occurs very frequently, and this way avoid their costly re-evaluation. Our hash is "functional" in that it identifies equivalent candidates even if they were represented or coded differently, and it is "unified" in that the same algorithm can hash arbitrary representations; e.g. compute graphs, imperative code, or lambda functions. As evidence, we show dramatic improvements on multiple AutoML domains, including neural architecture search and algorithm discovery. Finally, we consider the effect of hash collisions, evaluation noise, and search distribution through empirical analysis. Altogether, we hope this paper may serve as a guide to hashing techniques in AutoML.

We consider the problem of constructing small coresets for k-Median in Euclidean spaces. Given a large set of data points Psubset R^d, a coreset is a much smaller set Ssubset R^d, so that the k-Median costs of any k centers w.r.t. P and S are close. Existing literature mainly focuses on the high-dimension case and there has been great success in obtaining dimension-independent bounds, whereas the case for small d is largely unexplored. Considering many applications of Euclidean clustering algorithms are in small dimensions and the lack of systematic studies in the current literature, this paper investigates coresets for k-Median in small dimensions. For small d, a natural question is whether existing near-optimal dimension-independent bounds can be significantly improved. We provide affirmative answers to this question for a range of parameters. Moreover, new lower bound results are also proved, which are the highest for small d. In particular, we completely settle the coreset size bound for 1-d k-Median (up to log factors). Interestingly, our results imply a strong separation between 1-d 1-Median and 1-d 2-Median. As far as we know, this is the first such separation between k=1 and k=2 in any dimension.

Length extrapolation algorithms based on Rotary position embedding (RoPE) have shown promising results in extending the context length of language models. However, understanding how position embedding can capture longer-range contextual information remains elusive. Based on the intuition that different dimensions correspond to different frequency of changes in RoPE encoding, we conducted a dimension-level analysis to investigate the correlation between a hidden dimension of an attention head and its contribution to capturing long-distance dependencies. Using our correlation metric, we identified a particular type of attention heads, which we named Positional Heads, from various length-extrapolated models. These heads exhibit a strong focus on long-range information interaction and play a pivotal role in long input processing, as evidence by our ablation. We further demonstrate the correlation between the efficiency of length extrapolation and the extension of the high-dimensional attention allocation of these heads. The identification of Positional Heads provides insights for future research in long-text comprehension.

While Key-Value (KV) cache succeeds in reducing redundant computations in auto-regressive models, it introduces significant memory overhead, limiting its practical deployment in long-sequence scenarios. Existing KV retrieval methods mitigate this by dynamically retaining only a subset of KV entries on the GPU. However, they still suffer from notable efficiency and accuracy bottlenecks due to per-token retrieval and coarse-grained page-level KV management, especially in long-output reasoning scenarios. With the emergence of large reasoning models, efficiently handling such scenarios has become increasingly important. To address this issue, we present two key observations: (1) critical KVs exhibit strong temporal locality during decoding, and (2) these KVs exhibit distinct distribution patterns across the input prompt and generated output. Building on these observations, we propose LouisKV, an efficient KV cache retrieval framework designed for various long-sequence scenarios. Specifically, LouisKV introduces a semantic-aware retrieval strategy leveraging temporal locality to trigger retrieval only at semantic boundaries, drastically reducing computation and data transfer overhead. LouisKV also designs a decoupled, fine-grained management scheme that tailors differentiated strategies for input and output sequences to create retrieval units that better match the model's attention patterns, enabling precise identification of critical KVs. Furthermore, to boost efficiency, LouisKV incorporates several kernel-level optimizations, including custom Triton and CUDA kernels to accelerate the KV clustering and retrieval. Evaluations show that LouisKV achieves up to 4.7times speedup over state-of-the-art KV retrieval methods while maintaining near-lossless accuracy across diverse long-sequence tasks, including long-input short-output, short-input long-output, and long-input long-output scenarios.